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EVODEX.1-P3025

Partial Hydrogen-Mapped Reactions

SMIRKS

Partial Reaction Rendering

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

Derived Operators

EVODEX.1-F7 - Elemental Balance

EVODEX.1-M1 - Mass Difference

0.0

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-Em536 - Reaction Operator Em

Reaction Operator Em SMIRKS

[H]-[#6:6](-[#6:5])(-[#7:7])-[#6:8]=[#8:9].[#6:16]-[#6:17](=[#8:18])-[#6:19]=[#8:20]>>[#6:5]-[#6:6](-[#6:8]=[#8:9])=[#8:18].[H]-[#6:17](-[#7:7])(-[#6:16])-[#6:19]=[#8:20]

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-R3683

Full Reaction Rendering

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