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EVODEX.1-P4156

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

[C:1]([C:2]1:[C:3]([H:28]):[N:4]([C@@:5]2([H:29])[C:6]([H:30])([H:31])[C@@:7]([O:8][H:32])([H:33])[C@:9]([C:10]([O:11][C:12]3:[C:13]([H:34]):[C:14]([H:35]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:36]):[C:20]:3[H:37])([H:38])[H:39])([H:40])[O:21]2):[C:22](=[O:23]):[N:24]([H:41]):[C:25]:1=[O:26])([H:42])([H:43])[H:44]>>[H]O[C:10]([C@:9]1([H:40])[C@:7]([O:8][H:32])([H:33])[C:6]([H:30])([H:31])[C@@:5]([N:4]2:[C:3]([H:28]):[C:2]([C:1]([H:42])([H:43])[H:44]):[C:25](=[O:26]):[N:24]([H:41]):[C:22]:2=[O:23])([H:29])[O:21]1)([H:38])[H:39].[H][O:11][C:12]1:[C:13]([H:34]):[C:14]([H:35]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:36]):[C:20]:1[H:37]

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E344 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:2]-[#6:3](-[#8:4]-[#6:5])(-[H:20])-[H:21]>>[#6:2]-[#6:3](-[#8]-[H])(-[H:20])-[H:21].[#8:4](-[#6:5])-[H]

EVODEX.1-C1370 - Reaction Operator C

Reaction Operator C SMIRKS

([#6:10]-[#8:11].[#6@@:7])>>([H]-[#8]-[#6:10].[#6@:7]).[H]-[#8:11]

EVODEX.1-N1733 - Reaction Operator N

Reaction Operator N SMIRKS

[#6:6]-[#6@@:7](-[#8:8])(-[H:33])-[#6@:9]-[#6:10](-[#8:11]-[#6:12])(-[H:38])-[H:39]>>[H]-[#8]-[#6:10](-[#6@:9]-[#6@:7](-[#8:8])(-[H:33])-[#6:6])(-[H:38])-[H:39].[H]-[#8:11]-[#6:12]

EVODEX.1-Em115 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#6:3]-[#8:4]>>[#8]-[#6:3].[H]-[#8:4]

EVODEX.1-Nm147 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:18]-[#6:19]-[#8:20]-[#6:21]>>[H]-[#8]-[#6:19]-[#6:18].[H]-[#8:20]-[#6:21]

Source Full Reactions

EVODEX.1-R4993

Full Reaction Rendering

[C:1]([C:2]1:[C:3]([H:28]):[N:4]([C@@:5]2([H:29])[C:6]([H:30])([H:31])[C@@:7]([O:8][H:32])([H:33])[C@:9]([C:10]([O:11][C:12]3:[C:13]([H:34]):[C:14]([H:35]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:36]):[C:20]:3[H:37])([H:38])[H:39])([H:40])[O:21]2):[C:22](=[O:23]):[N:24]([H:41]):[C:25]:1=[O:26])([H:42])([H:43])[H:44].[H][O:27][H:45]>>[C:1]([C:2]1:[C:3]([H:28]):[N:4]([C@@:5]2([H:29])[C:6]([H:30])([H:31])[C@@:7]([O:8][H:32])([H:33])[C@:9]([C:10]([O:27][H:45])([H:38])[H:39])([H:40])[O:21]2):[C:22](=[O:23]):[N:24]([H:41]):[C:25]:1=[O:26])([H:42])([H:43])[H:44].[H][O:11][C:12]1:[C:13]([H:34]):[C:14]([H:35]):[C:15]([N+:16](=[O:17])[O-:18]):[C:19]([H:36]):[C:20]:1[H:37]