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EVODEX.1-P3266

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[H][O:11][C:10]([C@:9]1([H:54])[C@:7]([O:8][H:49])([H:50])[C:6]([H:47])([H:48])[C@@:5]([N:4]2:[C:3]([H:45]):[C:2]([C:1]([H:56])([H:57])[H:58]):[C:16](=[O:17]):[N:15]([H:55]):[C:13]:2=[O:14])([H:46])[O:12]1)([H:52])[H:53].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(N([H])[H]):N:C([H]):N:C:3:2)O[C@]1([H])C([H])([H])OP(=O)(O[H])O[P:37](=[O:38])([O:39][H:63])[O:40][H:64]>>[C:1]([C:2]1:[C:3]([H:45]):[N:4]([C@@:5]2([H:46])[C:6]([H:47])([H:48])[C@@:7]([O:8][H:49])([H:50])[C@:9]([C:10]([O:11][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:52])[H:53])([H:54])[O:12]2):[C:13](=[O:14]):[N:15]([H:55]):[C:16]:1=[O:17])([H:56])([H:57])[H:58]

Derived Operators

EVODEX.1-F113 - Elemental Balance

P-1
O-7
C-10
N-5
H-14

EVODEX.1-M24 - Mass Difference

-347.06321999999994

EVODEX.1-E722 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:17](-[#6@:16])-[H].[#7](-[#6]1:[#7]:[#6](-[H]):[#7]:[#6]2:[#6]:1:[#7]:[#6](-[H]):[#7]:2-[#6@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:39](=[#8:40])(-[#8:41])-[#8:42])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H])(-[H])-[H]>>[#8:17](-[#6@:16])-[#15:39](=[#8:40])(-[#8:41])-[#8:42]

EVODEX.1-C974 - Reaction Operator C

Reaction Operator C SMIRKS

([H]-[#8:19].[#6@:8]).[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:44]>>([#8:19]-[#15:44].[#6@@:8])

EVODEX.1-N1620 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#8:11]-[#6:10]-[#6@:9]-[#6@:7](-[#8:8])(-[H:50])-[#6:6].[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](-[#7](-[H])-[H]):[#7]:[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]>>[#6:6]-[#6@@:7](-[#8:8])(-[H:50])-[#6@:9]-[#6:10]-[#8:11]-[#15:37](=[#8:38])(-[#8:39])-[#8:40]

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-R3907

Full Reaction Rendering

[H][O:11][C:10]([C@:9]1([H:54])[C@:7]([O:8][H:49])([H:50])[C:6]([H:47])([H:48])[C@@:5]([N:4]2:[C:3]([H:45]):[C:2]([C:1]([H:56])([H:57])[H:58]):[C:16](=[O:17]):[N:15]([H:55]):[C:13]:2=[O:14])([H:46])[O:12]1)([H:52])[H:53].[N:18]([C:19]1:[N:20]:[C:21]([H:59]):[N:22]:[C:23]2:[C:24]:1:[N:25]:[C:26]([H:60]):[N:27]:2[C@:28]1([H:61])[O:29][C@@:30]([C:31]([O:32][P:33](=[O:34])([O:35][H:62])[O:36][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:65])[H:66])([H:67])[C@:41]([O:42][H:68])([H:69])[C@:43]1([O:44][H:70])[H:71])([H:72])[H:73]>>[C:1]([C:2]1:[C:3]([H:45]):[N:4]([C@@:5]2([H:46])[C:6]([H:47])([H:48])[C@@:7]([O:8][H:49])([H:50])[C@:9]([C:10]([O:11][P:37](=[O:38])([O:39][H:63])[O:40][H:64])([H:52])[H:53])([H:54])[O:12]2):[C:13](=[O:14]):[N:15]([H:55]):[C:16]:1=[O:17])([H:56])([H:57])[H:58].[H][O:36][P:33]([O:32][C:31]([C@@:30]1([H:67])[O:29][C@:28]([N:27]2:[C:23]3:[N:22]:[C:21]([H:59]):[N:20]:[C:19]([N:18]([H:72])[H:73]):[C:24]:3:[N:25]:[C:26]:2[H:60])([H:61])[C@@:43]([O:44][H:70])([H:71])[C@@:41]1([O:42][H:68])[H:69])([H:65])[H:66])(=[O:34])[O:35][H:62]