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EVODEX.1-P3444

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][H:47])([H:48])[H:49])([H:50])[C@:20]([O:21][H:51])([H:52])[C@:22]1([O:23][H:53])[H:54])([H:55])[H:56]>>[H][O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:55])[H:56]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:22]([O:23][H:53])([H:54])[C@@:20]1([O:21][H:51])[H:52])([H:48])[H:49].[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):N:C3:C(=O):N([H]):C([H]):N:C:3:2)O[C@]1([H])C([H])([H])O[P:16](=[O:17])([O:18][H:46])[O:19][H:47]

Derived Operators

EVODEX.1-F444 - Elemental Balance

O5
C10
N4
H12

EVODEX.1-M427 - Mass Difference

268.08086

EVODEX.1-E1253 - Reaction Operator E

Reaction Operator E SMIRKS

[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8:5]-[#6:6]>>[#8:1]=[#15:2](-[#8:3])(-[#8:4])-[#8]-[#6](-[#6@@]1(-[H])-[#8]-[#6@](-[#7]2:[#6]3:[#7]:[#6](-[H]):[#7](-[H]):[#6](=[#8]):[#6]:3:[#7]:[#6]:2-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@@]-1(-[#8]-[H])-[H])(-[H])-[H].[#8:5](-[#6:6])-[H]

EVODEX.1-C1093 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:29]-[#15:30].[#6@:34]-[#6@:36])>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:30].([H]-[#8:29].[#6@@:36]-[#6@@:34])

EVODEX.1-N1340 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:28](-[#6@@:27]-[#6@:34](-[#8:35])(-[H:62])-[#6@:36](-[#6@:25])(-[#8:37])-[H:64])-[#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#7]:[#6]3:[#6](=[#8]):[#7](-[H]):[#6](-[H]):[#7]:[#6]:2:3)-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33].[H]-[#8:29]-[#6:28]-[#6@@:27]-[#6@:34](-[#6@:36](-[#6@:25])(-[#8:37])-[H:64])(-[#8:35])-[H:62]

EVODEX.1-Em64 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]

EVODEX.1-Cm10 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#8:7]-[#15:8]>>[H]-[#8:7].[#8]-[#15:8]

EVODEX.1-Nm77 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:2]-[#8:4]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]>>[H]-[#8:4]-[#6:2].[#6]-[#8]-[#15:5](=[#8:6])(-[#8:7])-[#8:8]

Source Full Reactions

EVODEX.1-R4129

Full Reaction Rendering

[N:1]([C:2]1:[N:3]:[C:4]([H:43]):[N:5]:[C:6]2:[C:7]:1:[N:8]:[C:9]([H:44]):[N:10]:2[C@:11]1([H:45])[O:12][C@@:13]([C:14]([O:15][P:16](=[O:17])([O:18][H:46])[O:19][H:47])([H:48])[H:49])([H:50])[C@:20]([O:21][H:51])([H:52])[C@:22]1([O:23][H:53])[H:54])([H:55])[H:56].[H][O:38][C:37]([C@@:36]1([H:64])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:58]):[N:26]([H:57]):[C:25](=[O:24]):[C:30]:3:[N:31]:[C:32]:2[H:59])([H:60])[C@@:41]([O:42][H:67])([H:68])[C@@:39]1([O:40][H:65])[H:66])([H:62])[H:63]>>[H][O:15][C:14]([C@@:13]1([H:50])[O:12][C@:11]([N:10]2:[C:6]3:[N:5]:[C:4]([H:43]):[N:3]:[C:2]([N:1]([H:55])[H:56]):[C:7]:3:[N:8]:[C:9]:2[H:44])([H:45])[C@@:22]([O:23][H:53])([H:54])[C@@:20]1([O:21][H:51])[H:52])([H:48])[H:49].[P:16](=[O:17])([O:18][H:46])([O:19][H:47])[O:38][C:37]([C@@:36]1([H:64])[O:35][C@:34]([N:33]2:[C:29]3:[N:28]:[C:27]([H:58]):[N:26]([H:57]):[C:25](=[O:24]):[C:30]:3:[N:31]:[C:32]:2[H:59])([H:60])[C@@:41]([O:42][H:67])([H:68])[C@@:39]1([O:40][H:65])[H:66])([H:62])[H:63]