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EVODEX.1-P4383

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F9 - Elemental Balance

O1
H2

EVODEX.1-M2 - Mass Difference

18.010559999999998

EVODEX.1-E359 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@@:5])(-[#8:7]-[#6@:8])(-[H:81])-[#8:42]>>[#6:6](-[#6@@:5])(-[#8]-[H])(-[H:81])-[#8:42].[#8:7](-[#6@:8])-[H]

EVODEX.1-C167 - Reaction Operator C

Reaction Operator C SMIRKS

([#8:7]-[#6@:6].[#6@@:21]-[#6@@:24]-[#6@@:26])>>([H]-[#8]-[#6@@:6].[#6@:26]-[#6@:24]-[#6@:21]).[H]-[#8:7]

EVODEX.1-N1126 - Reaction Operator N

Reaction Operator N SMIRKS

[#8:7](-[#6@@:6]1(-[#6@@:5]-[#6@:26](-[#6@:24](-[#6@:21](-[#8:20]-1)(-[#6:22])-[H:48])(-[#8:25])-[H:50])(-[#8:27])-[H:62])-[H:44])-[#6:8]>>[H]-[#8]-[#6@@:6]1(-[H:44])-[#6@@:5]-[#6@:26](-[#8:27])(-[H:62])-[#6@:24](-[#8:25])(-[H:50])-[#6@:21](-[#6:22])(-[H:48])-[#8:20]-1.[H]-[#8:7]-[#6:8]

EVODEX.1-Em39 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]

EVODEX.1-Cm11 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

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

EVODEX.1-Nm43 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:5]-[#6:6](-[#8:7]-[#6:8])-[#8:20]>>[H]-[#8]-[#6:6](-[#6:5])-[#8:20].[H]-[#8:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5221

Full Reaction Rendering

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