EVODEX.1-P2932

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

EVODEX.1-E274 - Reaction Operator E

Reaction Operator E SMIRKS

[#6:6](-[#6@:5])(=[#8:7])-[#6@@:8].[#7:41](-[#6@@:42](-[#6:43])(-[#6:48]=[#8:49])-[H])(-[H:81])-[H:82]>>[#7:41](-[#6@@:6](-[#6@:5])(-[H])-[#6@@:8])(-[H:81])-[H:82].[#8:7]=[#6:42](-[#6:43])-[#6:48]=[#8:49]

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-Em543 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:2](-[#7:1])(-[#6:3])-[#6:8]=[#8:9].[#8:11]=[#6:12](-[#6:13])-[#6:19]>>[#6:2](-[#6:3])(-[#6:8]=[#8:9])=[#8:11].[H]-[#6:12](-[#7:1])(-[#6:13])-[#6:19]

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-R3610

Full Reaction Rendering

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