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EVODEX.1-P669

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H]O[C@]1([H])[C@]([H])(OP(=O)(O[H])O[H])[C@@]([H])(C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C(C([H])([H])[H])(C([H])([H])[H])[C@@]([H])(O[H])C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])S[C:4]([C:2]([C:1]([H:137])([H:138])[H:139])([C:3]([H:98])([H:99])[H:100])[H:136])=[O:5])O[C@@]1([H])N1:C([H]):N:C2:C(N([H])[H]):N:C([H]):N:C:2:1>>[H][C:4]([C:2]([C:1]([H:137])([H:138])[H:139])([C:3]([H:98])([H:99])[H:100])[H:136])=[O:5]

Derived Operators

EVODEX.1-F30 - Elemental Balance

P-3
O-16
C-21
S-1
N-7
H-34

EVODEX.1-M202 - Mass Difference

-765.0998199999999

EVODEX.1-E472 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:17]-[#6:18](=[#8:19])-[#16]-[#6](-[#6](-[#7](-[#6](=[#8])-[#6](-[#6](-[#7](-[#6](=[#8])-[#6@](-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])-[H])-[H])(-[H])-[H])(-[H])-[H]>>[#6:17]-[#6:18](=[#8:19])-[H]

EVODEX.1-C225 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:22])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:22]

EVODEX.1-N207 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@]1(-[H])-[#6@](-[H])(-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[H])(-[H])-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[#6@@](-[H])(-[#8]-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#7](-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#16]-[#6:22](-[#6:21])=[#8:23])-[#8]-[#6@@]-1(-[H])-[#7]1:[#6](-[H]):[#7]:[#6]2:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:1:2>>[H]-[#6:22](-[#6:21])=[#8:23]

EVODEX.1-Em297 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6]-[#16]-[#6:22](-[#6:21])=[#8:23]>>[H]-[#6:22](-[#6:21])=[#8:23]

EVODEX.1-Cm209 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#16]-[#6:22]>>[H]-[#6:22]

EVODEX.1-Nm293 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6]-[#16]-[#6:22](-[#6:21])=[#8:23]>>[H]-[#6:22](-[#6:21])=[#8:23]

Source Full Reactions

EVODEX.1-R624

Full Reaction Rendering

[C:1]([C:2]([C:3]([H:98])([H:99])[H:100])([C:4](=[O:5])[S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:101])([C:19]([C:20]([H:102])([H:103])[H:104])([C:21]([H:105])([H:106])[H:107])[C:22]([O:23][P:24](=[O:25])([O:26][H:108])[O:27][P:28](=[O:29])([O:30][H:109])[O:31][C:32]([C@@:33]1([H:110])[O:34][C@:35]([N:36]2:[C:37]([H:111]):[N:38]:[C:39]3:[C:40]([N:41]([H:112])[H:113]):[N:42]:[C:43]([H:114]):[N:44]:[C:45]:2:3)([H:115])[C@@:46]([O:47][H:116])([H:117])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:118])[O:53][H:119])[H:120])([H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])[H:131])([H:132])[H:133])([H:134])[H:135])[H:136])([H:137])([H:138])[H:139].[HH].[H][C:97]1([H:165])[C:57]([C:55]([N:54]([H:167])[H:168])=[O:56])=[C:58]([H:140])[N:59]([C@:60]2([H:141])[O:61][C@@:62]([C:63]([O:64][P:65](=[O:66])([O:67][H:142])[O:68][P:69](=[O:70])([O:71][H:143])[O:72][C:73]([C@@:74]3([H:144])[O:75][C@:76]([N:77]4:[C:78]([H:145]):[N:79]:[C:80]5:[C:81]([N:82]([H:146])[H:147]):[N:83]:[C:84]([H:148]):[N:85]:[C:86]:4:5)([H:149])[C@@:87]([O:88][H:150])([H:151])[C@@:89]3([O:90][H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[C@:91]([O:92][H:159])([H:160])[C@:93]2([O:94][H:161])[H:162])[C:95]([H:163])=[C:96]1[H:164]>>[H][C:4]([C:2]([C:1]([H:137])([H:138])[H:139])([C:3]([H:98])([H:99])[H:100])[H:136])=[O:5].[N:54]([C:55](=[O:56])[C:57]1:[C:58]([H:140]):[N+:59]([C@:60]2([H:141])[O:61][C@@:62]([C:63]([O:64][P:65](=[O:66])([O:67][H:142])[O:68][P:69](=[O:70])([O:71][H:143])[O:72][C:73]([C@@:74]3([H:144])[O:75][C@:76]([N:77]4:[C:78]([H:145]):[N:79]:[C:80]5:[C:81]([N:82]([H:146])[H:147]):[N:83]:[C:84]([H:148]):[N:85]:[C:86]:4:5)([H:149])[C@@:87]([O:88][H:150])([H:151])[C@@:89]3([O:90][H:152])[H:153])([H:154])[H:155])([H:156])[H:157])([H:158])[C@:91]([O:92][H:159])([H:160])[C@:93]2([O:94][H:161])[H:162]):[C:95]([H:163]):[C:96]([H:164]):[C:97]:1[H:165])([H:167])[H:168].[H][S:6][C:7]([C:8]([N:9]([C:10](=[O:11])[C:12]([C:13]([N:14]([C:15](=[O:16])[C@:17]([O:18][H:101])([C:19]([C:20]([H:102])([H:103])[H:104])([C:21]([H:105])([H:106])[H:107])[C:22]([O:23][P:24](=[O:25])([O:26][H:108])[O:27][P:28](=[O:29])([O:30][H:109])[O:31][C:32]([C@@:33]1([H:110])[O:34][C@:35]([N:36]2:[C:37]([H:111]):[N:38]:[C:39]3:[C:40]([N:41]([H:112])[H:113]):[N:42]:[C:43]([H:114]):[N:44]:[C:45]:2:3)([H:115])[C@@:46]([O:47][H:116])([H:117])[C@@:48]1([O:49][P:50](=[O:51])([O:52][H:118])[O:53][H:119])[H:120])([H:121])[H:122])([H:123])[H:124])[H:125])[H:126])([H:127])[H:128])([H:129])[H:130])[H:131])([H:132])[H:133])([H:134])[H:135]