EVODEX.1-P5477 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([C:16](=[O:17])[O:18][H:31])[H:32])[H:30]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:36])([H:37])[H:38])([C:3]([H:20])([H:21])[H:22])[H:35])([H:33])[H:34])([C:16](=[O:17])[O:18][H:31])[H:32])[H:30]

Derived Operators

EVODEX.1-F226 - Elemental Balance

O	-1
C	-8
H	-6

EVODEX.1-M289 - Mass Difference

-118.04188

EVODEX.1-E943 - Reaction Operator E

[#6:6]-[#7:7](-[#6](=[#8])-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H:28]>>[#6:6]-[#7:7](-[H:28])-[H]

EVODEX.1-C681 - Reaction Operator C

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11]

EVODEX.1-N839 - Reaction Operator N

[H]-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[#6](-[H])(-[H])-[#6](=[#8])-[#7:11](-[#6:12])-[H:32]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:11](-[#6:12])-[H:32]

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-R6220

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