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EVODEX.1-P3597

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:13][C:12]([C:11]([C:10]1:[S:9]:[C:8]([H:49]):[N+:7]([C:6]([C:5]2:[C:4]([H:48]):[N:3]:[C:2]([C:1]([H:62])([H:63])[H:64]):[N:18]:[C:16]:2[N:17]([H:60])[H:61])([H:58])[H:59]):[C:14]:1[C:15]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(N([H])[H]):N:C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71]>>[C:1]([C:2]1:[N:3]:[C:4]([H:48]):[C:5]([C:6]([N+:7]2:[C:8]([H:49]):[S:9]:[C:10]([C:11]([C:12]([O:13][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71])([H:51])[H:52])([H:53])[H:54]):[C:14]:2[C:15]([H:55])([H:56])[H:57])([H:58])[H:59]):[C:16]([N:17]([H:60])[H:61]):[N:18]:1)([H:62])([H:63])[H:64]

Derived Operators

EVODEX.1-F411 - Elemental Balance

P-1
O-8
C-9
N-3
H-14

EVODEX.1-M160 - Mass Difference

-323.05192

EVODEX.1-E1218 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#7]-[H]):[#7](-[H]):[#6]:2=[#8])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#6:100]-[#8:101]-[H]>>[#8:24]-[#15:25](=[#8:26])(-[#8:27])-[#8:101]-[#6:100]

EVODEX.1-C995 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#8:23].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:50]>>[#8:23]-[#15:50]

EVODEX.1-N1234 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:23]-[#6:22].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](-[#7](-[H])-[H]):[#7]:[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:50](-[#8:49])(=[#8:51])-[#8:52]>>[#6:22]-[#8:23]-[#15:50](-[#8:49])(=[#8:51])-[#8:52]

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-R4333

Full Reaction Rendering

[H][O:13][C:12]([C:11]([C:10]1:[S:9]:[C:8]([H:49]):[N+:7]([C:6]([C:5]2:[C:4]([H:48]):[N:3]:[C:2]([C:1]([H:62])([H:63])[H:64]):[N:18]:[C:16]:2[N:17]([H:60])[H:61])([H:58])[H:59]):[C:14]:1[C:15]([H:55])([H:56])[H:57])([H:53])[H:54])([H:51])[H:52].[N:19]([C:20]1:[C:21]([H:65]):[C:22]([H:66]):[N:23]([C@:24]2([H:67])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:68])[O:32][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71])([H:72])[H:73])([H:74])[C@:41]([O:42][H:75])([H:76])[C@:43]2([O:44][H:77])[H:78]):[C:45](=[O:46]):[N:47]:1)([H:79])[H:80]>>[C:1]([C:2]1:[N:3]:[C:4]([H:48]):[C:5]([C:6]([N+:7]2:[C:8]([H:49]):[S:9]:[C:10]([C:11]([C:12]([O:13][P:33](=[O:34])([O:35][H:69])[O:36][P:37](=[O:38])([O:39][H:70])[O:40][H:71])([H:51])[H:52])([H:53])[H:54]):[C:14]:2[C:15]([H:55])([H:56])[H:57])([H:58])[H:59]):[C:16]([N:17]([H:60])[H:61]):[N:18]:1)([H:62])([H:63])[H:64].[H][O:32][P:29]([O:28][C:27]([C@@:26]1([H:74])[O:25][C@:24]([N:23]2:[C:22]([H:66]):[C:21]([H:65]):[C:20]([N:19]([H:79])[H:80]):[N:47]:[C:45]:2=[O:46])([H:67])[C@@:43]([O:44][H:77])([H:78])[C@@:41]1([O:42][H:75])[H:76])([H:72])[H:73])(=[O:30])[O:31][H:68]