EVODEX.1-P6421

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-C48 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6:2]-[#6:3]-[#8:4]>>[#6:2]=[#6:3].[H]-[#8:4]

EVODEX.1-N15 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6:2](-[#6:1])(-[#6:3](-[#8:4]-[H:55])(-[#6:5])-[H:91])-[H:92]>>[#6:1]-[#6:2](=[#6:3](-[#6:5])-[H:91])-[H:92].[H]-[#8:4]-[H:55]

EVODEX.1-Em766 - Reaction Operator Em

Reaction Operator Em SMIRKS

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

EVODEX.1-Cm74 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:36]-[#6:19]-[#8:18]>>[#6:19]=[#6:36].[H]-[#8:18]

EVODEX.1-Nm69 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

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

Source Full Reactions

EVODEX.1-R7008

Full Reaction Rendering

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