EVODEX.1-P5485 - Partial Reaction

SMIRKS

[H]C1:C([H]):C([H]):C(C([H])([H])C(=O)[N:10]([C:9]2:[C:8]([H:25]):[C:7]3:[O:6]:[C:4](=[O:5]):[C:3]([H:24]):[C:2]([C:1]([H:36])([H:37])[H:38]):[C:22]:3:[C:21]([H:35]):[C:20]:2[H:34])[H:33]):C([H]):C:1[H]>>[H][N:10]([C:9]1:[C:8]([H:25]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:24]):[C:2]([C:1]([H:36])([H:37])[H:38]):[C:22]:2:[C:21]([H:35]):[C:20]:1[H:34])[H:33]

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-R6226

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