EVODEX.1-P5008 - Partial Reaction

SMIRKS

[H]OC(=O)C([H])([H])C([H])([H])[C@@]([H])(C(=O)[N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:35])([H:36])[H:37])[H:60])([H:58])[H:59])([C:26](=[O:27])[N:28]([C:29]([C:30](=[O:31])[O:32][H:53])([H:54])[H:55])[H:56])[H:57])[H:52])N([H])C(=O)OC([H])([H])C1:C([H]):C([H]):C([H]):C([H]):C:1[H]>>[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:35])([H:36])[H:37])[H:60])([H:58])[H:59])([C:26](=[O:27])[N:28]([C:29]([C:30](=[O:31])[O:32][H:53])([H:54])[H:55])[H:56])[H:57])[H:52]

Derived Operators

EVODEX.1-F507 - Elemental Balance

C	-13
O	-5
N	-1
H	-13

EVODEX.1-M480 - Mass Difference

-263.07939

EVODEX.1-E1325 - Reaction Operator E

[#7:5](-[#6@:4])(-[#6](=[#8])-[#6@](-[#6](-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])(-[#7](-[#6](=[#8])-[#8]-[#6](-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H])(-[H])-[H])-[H])-[H])-[H:55]>>[#7:5](-[#6@:4])(-[H:55])-[H]

EVODEX.1-C616 - Reaction Operator C

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5])-[#7](-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:5]

EVODEX.1-N771 - Reaction Operator N

[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6@@](-[H])(-[#6](=[#8])-[#7:5](-[#6@@:4])-[H:53])-[#7](-[H])-[#6](=[#8])-[#8]-[#6](-[H])(-[H])-[#6]1:[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6](-[H]):[#6]:1-[H]>>[H]-[#7:5](-[#6@@:4])-[H:53]

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-R5790

[C:1]([C:2]([C:3]([H:35])([H:36])[H:37])([C:4]([C@:5]([N:6]([C:7](=[O:8])[C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:38])([H:39])[H:40])([H:41])[H:42])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:43]):[C:22]([H:44]):[C:23]([H:45]):[C:24]([H:46]):[C:25]:1[H:47])([H:48])[H:49])[H:50])[H:51])[H:52])([C:26](=[O:27])[N:28]([C:29]([C:30](=[O:31])[O:32][H:53])([H:54])[H:55])[H:56])[H:57])([H:58])[H:59])[H:60])([H:61])([H:62])[H:63].[H][O:34][C:33]([H:65])([H:66])[H:67]>>[C:7](=[O:8])([C@:9]([C:10]([C:11]([C:12](=[O:13])[O:14][H:38])([H:39])[H:40])([H:41])[H:42])([N:15]([C:16](=[O:17])[O:18][C:19]([C:20]1:[C:21]([H:43]):[C:22]([H:44]):[C:23]([H:45]):[C:24]([H:46]):[C:25]:1[H:47])([H:48])[H:49])[H:50])[H:51])[O:34][C:33]([H:65])([H:66])[H:67].[H][N:6]([C@@:5]([C:4]([C:2]([C:1]([H:61])([H:62])[H:63])([C:3]([H:35])([H:36])[H:37])[H:60])([H:58])[H:59])([C:26](=[O:27])[N:28]([C:29]([C:30](=[O:31])[O:32][H:53])([H:54])[H:55])[H:56])[H:57])[H:52]