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EVODEX.1-P3320

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:5][C:4]([C:3](=[C:2]([C:1]([H:91])([H:92])[H:93])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:58])([H:59])[H:60])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:61])([H:62])[H:63])([C:16]([C:17]([C:18]([C:19]([C:20]([H:64])([H:65])[H:66])([C:21]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:57])([H:55])[H:56].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C(N([H])[H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[P:43](=[O:44])([O:45][H:98])[O:46][H:99]>>[C:1]([C:2](=[C:3]([C:4]([O:5][P:43](=[O:44])([O:45][H:98])[O:46][H:99])([H:55])[H:56])[H:57])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:58])([H:59])[H:60])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:61])([H:62])[H:63])([C:16]([C:17]([C:18]([C:19]([C:20]([H:64])([H:65])[H:66])([C:21]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])([H:92])[H:93]

Derived Operators

EVODEX.1-F390 - Elemental Balance

P-2
O-11
C-10
N-5
H-15

EVODEX.1-M39 - Mass Difference

-443.02444999999994

EVODEX.1-E1194 - Reaction Operator E

Reaction Operator E SMIRKS

[#7](-[#6]1:[#7]:[#6]2:[#6](:[#7]:[#6](-[H]):[#7]:2-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H])(-[H])-[H].[#6:34]-[#8:35]-[H]>>[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:35]-[#6:34]

EVODEX.1-C982 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22].[H]-[#8:38]>>[#15:22]-[#8:38]

EVODEX.1-N1219 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:22](=[#8:23])(-[#8:24])-[#8:25].[H]-[#8:38]-[#6:37]>>[#15:22](=[#8:23])(-[#8:24])(-[#8:25])-[#8:38]-[#6:37]

EVODEX.1-Em5 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

EVODEX.1-Cm9 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#8:27].[#8]-[#15:44]>>[#8:27]-[#15:44]

EVODEX.1-Nm6 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#15]-[#8]-[#15:16](-[#8:15])(=[#8:17])-[#8:18].[H]-[#8:34]-[#6:33]>>[#8:15]-[#15:16](=[#8:17])(-[#8:18])-[#8:34]-[#6:33]

Source Full Reactions

EVODEX.1-R3968

Full Reaction Rendering

[H][O:5][C:4]([C:3](=[C:2]([C:1]([H:91])([H:92])[H:93])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:58])([H:59])[H:60])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:61])([H:62])[H:63])([C:16]([C:17]([C:18]([C:19]([C:20]([H:64])([H:65])[H:66])([C:21]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])[H:57])([H:55])[H:56].[N:22]([C:23]1:[N:24]:[C:25]2:[C:26](:[N:27]:[C:28]([H:94]):[N:29]:2[C@:30]2([H:95])[O:31][C@@:32]([C:33]([O:34][P:35](=[O:36])([O:37][H:96])[O:38][P:39](=[O:40])([O:41][H:97])[O:42][P:43](=[O:44])([O:45][H:98])[O:46][H:99])([H:100])[H:101])([H:102])[C@:47]([O:48][H:103])([H:104])[C@:49]2([O:50][H:105])[H:106]):[C:51](=[O:52]):[N:53]:1[H:107])([H:108])[H:109]>>[C:1]([C:2](=[C:3]([C:4]([O:5][P:43](=[O:44])([O:45][H:98])[O:46][H:99])([H:55])[H:56])[H:57])[C:6]([C:7]([C:8]([C@:9]([C:10]([H:58])([H:59])[H:60])([C:11]([C:12]([C:13]([C@:14]([C:15]([H:61])([H:62])[H:63])([C:16]([C:17]([C:18]([C:19]([C:20]([H:64])([H:65])[H:66])([C:21]([H:67])([H:68])[H:69])[H:70])([H:71])[H:72])([H:73])[H:74])([H:75])[H:76])[H:77])([H:78])[H:79])([H:80])[H:81])([H:82])[H:83])[H:84])([H:85])[H:86])([H:87])[H:88])([H:89])[H:90])([H:91])([H:92])[H:93].[H][O:42][P:39]([O:38][P:35]([O:34][C:33]([C@@:32]1([H:102])[O:31][C@:30]([N:29]2:[C:25]3:[N:24]:[C:23]([N:22]([H:108])[H:109]):[N:53]([H:107]):[C:51](=[O:52]):[C:26]:3:[N:27]:[C:28]:2[H:94])([H:95])[C@@:49]([O:50][H:105])([H:106])[C@@:47]1([O:48][H:103])[H:104])([H:100])[H:101])(=[O:36])[O:37][H:96])(=[O:40])[O:41][H:97]