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EVODEX.1-P4686

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E250 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:77]-[#6@@:78](-[#6:79])(-[#6:84](=[#8:85])-[#7:86](-[#6@@:87])-[H:413])-[H:414].[#8:221](-[H:429])-[H]>>[#7:77]-[#6:78](-[#6:79])(-[#6:84](=[#8:85])-[#8:221]-[H:429])-[H:414].[#7:86](-[#6@@:87])(-[H:413])-[H]

EVODEX.1-C1412 - Reaction Operator C

Reaction Operator C SMIRKS

([#7:8]-[#6:9]-[#6:11].[#6@:2]).[H]-[#8:21]>>[#6:9](-[#6@@:11])-[#8:21].([H]-[#7:8].[#6@@:2])

EVODEX.1-N1794 - Reaction Operator N

Reaction Operator N SMIRKS

([#6:1]-[#6@:2](-[#7:3])(-[#6:18])-[H:38].[#7:8](-[#6@:6])(-[#6:9](=[#8:10])-[#6:11](-[#7:12])(-[#6:13])-[H:32])-[H:33]).[H]-[#8:21]-[H:42]>>[#6:9](=[#8:10])(-[#6@@:11](-[#7:12])(-[#6:13])-[H:32])-[#8:21]-[H:42].([H]-[#7:8](-[#6@:6])-[H:33].[#7:3]-[#6@@:2](-[#6:1])(-[#6:18])-[H:38])

EVODEX.1-Em51 - Reaction Operator Em

Reaction Operator Em SMIRKS

[#6:5]-[#6:6](=[#8:7])-[#7:8]-[#6:9].[H]-[#8:15]>>[#6:5]-[#6:6](=[#8:7])-[#8:15].[H]-[#7:8]-[#6:9]

EVODEX.1-Cm24 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[#7:23]-[#6:24].[H]-[#8:1]>>[H]-[#7:23].[#8:1]-[#6:24]

EVODEX.1-Nm49 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[#6:7]-[#6:8](=[#8:9])-[#7:10]-[#6:11].[H]-[#8:23]>>[#6:7]-[#6:8](=[#8:9])-[#8:23].[H]-[#7:10]-[#6:11]

Source Full Reactions

EVODEX.1-R5505

Full Reaction Rendering

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