EVODEX.1-P3126

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E273 - Reaction Operator E

Reaction Operator E SMIRKS

[#7:40](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H:70])-[H:71].[#6:45]-[#6:46](=[#8:47])-[#6:48]=[#8:49]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8:47].[#7:40](-[#6@@:46](-[#6:45])(-[#6:48]=[#8:49])-[H])(-[H:70])-[H:71]

EVODEX.1-C14 - Reaction Operator C

Reaction Operator C SMIRKS

[H]-[#6@@:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6@:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-N20 - Reaction Operator N

Reaction Operator N SMIRKS

[H]-[#6@@:14](-[#7:13](-[H:37])-[H:38])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6@:8](-[#6:7])(-[#6:10])-[#7:13](-[H:37])-[H:38].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Em544 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]=[#8:11]>>[H]-[#6:8](-[#6:7])(-[#6:10]=[#8:11])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

EVODEX.1-Cm49 - Reaction Operator Cm

Reaction Operator Cm SMIRKS

[H]-[#6:14]-[#7:13].[#6:8]=[#8:9]>>[H]-[#6:8]-[#7:13].[#8:9]=[#6:14]

EVODEX.1-Nm75 - Reaction Operator Nm

Reaction Operator Nm SMIRKS

[H]-[#6:14](-[#7:13])(-[#6:15])-[#6:21].[#6:7]-[#6:8](=[#8:9])-[#6:10]>>[H]-[#6:8](-[#6:7])(-[#6:10])-[#7:13].[#8:9]=[#6:14](-[#6:15])-[#6:21]

Source Full Reactions

EVODEX.1-R3785

Full Reaction Rendering

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