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EVODEX.1-P2672

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][H:82])([H:83])[H:84])[H:85])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([N:20]([C:21]1:[C:22]([H:89]):[C:23]([H:90]):[C:24]([H:91]):[C:25]([O:26][C:27]([F:28])([F:29])[F:30]):[C:31]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103]>>[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)C([H])([H])N([H])S(=O)(=O)C1:C([H]):C([H]):C([H]):C2:C(N(C([H])([H])[H])C([H])([H])[H]):C([H]):C([H]):C([H]):C:1:2)C([H])([H])S[C:4]([C:3](=[C:2]([C:1]([H:101])([H:102])[H:103])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([N:20]([C:21]1:[C:22]([H:89]):[C:23]([H:90]):[C:24]([H:91]):[C:25]([O:26][C:27]([F:28])([F:29])[F:30]):[C:31]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])[H:85])([H:83])[H:84])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H].[H][O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][H:82]

Derived Operators

EVODEX.1-F423 - Elemental Balance

O9
C31
S2
N6
H46

EVODEX.1-M411 - Mass Difference

710.27708

EVODEX.1-E1232 - Reaction Operator E

Reaction Operator E SMIRKS

[#15:54]-[#8:57]-[#6:58](-[#6:59])(-[H:144])-[H:145]>>[#6](-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[#6@](-[#7](-[#6](=[#8])-[#6@@](-[#7](-[#6](=[#8])-[#6@](-[#6](-[#16]-[#6:58](-[#6:59])(-[H:144])-[H:145])(-[H])-[H])(-[#7](-[#6](=[#8])-[#6](-[#7](-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[H])(-[H])-[H])-[H])-[H])-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])(-[#6](=[#8])-[#7](-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])-[H])-[H])(-[H])-[H])-[H])(-[H])(-[H])-[H].[#15:54]-[#8:57]-[H]

EVODEX.1-C409 - Reaction Operator C

Reaction Operator C SMIRKS

[#6:65]-[#8:66]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#16]-[#6:65])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:66]

EVODEX.1-N490 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:64]-[#6:65](-[#8:66]-[#15:67])(-[H:134])-[H:135]>>[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6](-[H])(-[H])-[#7](-[H])-[#16](=[#8])(=[#8])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]2:[#6](-[#7](-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1:2)-[#6](-[H])(-[H])-[#16]-[#6:65](-[#6:64])(-[H:134])-[H:135])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#8]-[H].[H]-[#8:66]-[#15:67]

EVODEX.1-Em525 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:64]-[#6:65]-[#8:66]-[#15:67]>>[#6]-[#16]-[#6:65]-[#6:64].[H]-[#8:66]-[#15:67]

EVODEX.1-Cm78 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:65]-[#8:66]>>[#16]-[#6:65].[H]-[#8:66]

EVODEX.1-Nm476 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:64]-[#6:65]-[#8:66]-[#15:67]>>[#6]-[#16]-[#6:65]-[#6:64].[H]-[#8:66]-[#15:67]

Source Full Reactions

EVODEX.1-R3403

Full Reaction Rendering

[C:1]([C:2](=[C:3]([C:4]([O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][H:82])([H:83])[H:84])[H:85])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([N:20]([C:21]1:[C:22]([H:89]):[C:23]([H:90]):[C:24]([H:91]):[C:25]([O:26][C:27]([F:28])([F:29])[F:30]):[C:31]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[H][S:46][C:45]([C@@:44]([C:42]([N:41]([C@:40]([C:38]([N:37]([C@@:36]([C:35]([C:33]([C:32]([H:147])([H:148])[H:149])([C:34]([H:104])([H:105])[H:106])[H:146])([H:144])[H:145])([C:71](=[O:72])[N:73]([C@@:74]([C:75]([O:76][H:137])([H:138])[H:139])([C:77](=[O:78])[O:79][H:140])[H:141])[H:142])[H:143])[H:136])=[O:39])([C:68]([C:69]([H:128])([H:129])[H:130])([C:70]([H:131])([H:132])[H:133])[H:134])[H:135])[H:127])=[O:43])([N:47]([C:48](=[O:49])[C:50]([N:51]([S:52](=[O:53])(=[O:54])[C:55]1:[C:56]([H:110]):[C:57]([H:111]):[C:58]([H:112]):[C:59]2:[C:60]([N:61]([C:62]([H:113])([H:114])[H:115])[C:63]([H:116])([H:117])[H:118]):[C:64]([H:119]):[C:65]([H:120]):[C:66]([H:121]):[C:67]:1:2)[H:122])([H:123])[H:124])[H:125])[H:126])([H:108])[H:109]>>[C:1]([C:2](=[C:3]([C:4]([S:46][C:45]([C@@:44]([C:42]([N:41]([C@:40]([C:38]([N:37]([C@@:36]([C:35]([C:33]([C:32]([H:147])([H:148])[H:149])([C:34]([H:104])([H:105])[H:106])[H:146])([H:144])[H:145])([C:71](=[O:72])[N:73]([C@@:74]([C:75]([O:76][H:137])([H:138])[H:139])([C:77](=[O:78])[O:79][H:140])[H:141])[H:142])[H:143])[H:136])=[O:39])([C:68]([C:69]([H:128])([H:129])[H:130])([C:70]([H:131])([H:132])[H:133])[H:134])[H:135])[H:127])=[O:43])([N:47]([C:48](=[O:49])[C:50]([N:51]([S:52](=[O:53])(=[O:54])[C:55]1:[C:56]([H:110]):[C:57]([H:111]):[C:58]([H:112]):[C:59]2:[C:60]([N:61]([C:62]([H:113])([H:114])[H:115])[C:63]([H:116])([H:117])[H:118]):[C:64]([H:119]):[C:65]([H:120]):[C:66]([H:121]):[C:67]:1:2)[H:122])([H:123])[H:124])[H:125])[H:126])([H:108])[H:109])([H:83])[H:84])[H:85])[C:14]([C:15]([C:16](=[C:17]([C:18]([H:86])([H:87])[H:88])[C:19]([N:20]([C:21]1:[C:22]([H:89]):[C:23]([H:90]):[C:24]([H:91]):[C:25]([O:26][C:27]([F:28])([F:29])[F:30]):[C:31]:1[H:92])[H:93])([H:94])[H:95])[H:96])([H:97])[H:98])([H:99])[H:100])([H:101])([H:102])[H:103].[H][O:5][P:6](=[O:7])([O:8][H:80])[O:9][P:10](=[O:11])([O:12][H:81])[O:13][H:82]