EVODEX.1-P4682 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)[N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:16](=[O:17])[O:18][H:27])[H:28])[H:26])N([H])[H]>>[H][N:7]([C@@:6]([C:5]([C:4]([C:3]([C:2]([N:1]([H:37])[H:38])([H:35])[H:36])([H:33])[H:34])([H:31])[H:32])([H:29])[H:30])([C:16](=[O:17])[O:18][H:27])[H:28])[H:26]

Derived Operators

EVODEX.1-F220 - Elemental Balance

O	-3
C	-4
N	-1
H	-5

EVODEX.1-M72 - Mass Difference

-115.02695

EVODEX.1-E929 - Reaction Operator E

[#7](-[#6@@](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[#6](=[#8])-[#7:9](-[#6:10])-[H:62])-[H])(-[H])-[H]>>[#7:9](-[#6:10])(-[H:62])-[H]

EVODEX.1-C558 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18])-[#7](-[H])-[H]>>[H]-[#7:18]

EVODEX.1-N711 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:18](-[#6@:13])-[H:49])-[#7](-[H])-[H]>>[H]-[#7:18](-[#6@:13])-[H:49]

EVODEX.1-Em1 - Reaction Operator Em

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

EVODEX.1-Cm1 - Reaction Operator Cm

[#6]-[#7:7]>>[H]-[#7:7]

EVODEX.1-Nm1 - Reaction Operator Nm

[#6]-[#6](=[#8])-[#7:7]-[#6:8]>>[H]-[#7:7]-[#6:8]

Source Full Reactions

EVODEX.1-R5502

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