SMIRKS
[H][O:26][C:25]([C@:23]([C@:21]([C@:19]([C:18]([N:17]1:[C:5]2:[C:4]([H:44]):[C:3]([H:43]):[C:2]([C:1]([H:58])([H:59])[H:60]):[C:7]([H:45]):[C:6]:2:[N:8]:[C:9]2:[C:10](=[O:11]):[N:12]([H:46]):[C:13](=[O:14]):[N:15]:[C:16]:12)([H:56])[H:57])([O:20][H:47])[H:55])([O:22][H:48])[H:54])([O:24][H:49])[H:53])([H:51])[H:52].[H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[P:28](=[O:27])([O:29][H:61])[O:30][H:62])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]1([H])O[H]>>[C:1]([C:2]1:[C:3]([H:43]):[C:4]([H:44]):[C:5]2:[C:6](:[C:7]:1[H:45]):[N:8]:[C:9]1:[C:10](=[O:11]):[N:12]([H:46]):[C:13](=[O:14]):[N:15]:[C:16]1:[N:17]:2[C:18]([C@:19]([O:20][H:47])([C@:21]([O:22][H:48])([C@:23]([O:24][H:49])([C:25]([O:26][P:28](=[O:27])([O:29][H:61])[O:30][H:62])([H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60]
Derived Operators
EVODEX.1-F359 - Elemental Balance
| O | -6 |
| C | -6 |
| H | -12 |
EVODEX.1-M41 - Mass Difference
-180.06336000000002
EVODEX.1-E1150 - Reaction Operator E
[#6:7]-[#8:8]-[H].[#8:14]=[#15:15](-[#8:16])(-[#8:17])-[#8]-[#6@@]1(-[H])-[#8]-[#6@@](-[#6](-[#8]-[H])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@@](-[#8]-[H])(-[H])-[#6@]-1(-[#8]-[H])-[H]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
EVODEX.1-C1084 - Reaction Operator C
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:13])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:11]>>[#8:11]-[#15:13]
EVODEX.1-N1333 - Reaction Operator N
[H]-[#8]-[#6](-[H])(-[H])-[#6@@]1(-[H])-[#8]-[#6@](-[H])(-[#8]-[#15:13](=[#8:12])(-[#8:14])-[#8:15])-[#6@](-[H])(-[#8]-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@]-1(-[H])-[#8]-[H].[H]-[#8:11]-[#6:10]>>[#6:10]-[#8:11]-[#15:13](=[#8:12])(-[#8:14])-[#8:15]
EVODEX.1-Em556 - Reaction Operator Em
[H]-[#8:8]-[#6:7].[#6]-[#8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
EVODEX.1-Nm502 - Reaction Operator Nm
[H]-[#8:8]-[#6:7].[#6]-[#8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]>>[#6:7]-[#8:8]-[#15:15](=[#8:14])(-[#8:16])-[#8:17]
Source Full Reactions
EVODEX.1-R4044
[H][O:26][C:25]([C@:23]([C@:21]([C@:19]([C:18]([N:17]1:[C:5]2:[C:4]([H:44]):[C:3]([H:43]):[C:2]([C:1]([H:58])([H:59])[H:60]):[C:7]([H:45]):[C:6]:2:[N:8]:[C:9]2:[C:10](=[O:11]):[N:12]([H:46]):[C:13](=[O:14]):[N:15]:[C:16]:12)([H:56])[H:57])([O:20][H:47])[H:55])([O:22][H:48])[H:54])([O:24][H:49])[H:53])([H:51])[H:52].[O:27]=[P:28]([O:29][H:61])([O:30][H:62])[O:31][C@@:32]1([H:63])[O:33][C@@:34]([C:35]([O:36][H:64])([H:65])[H:66])([H:67])[C@:37]([O:38][H:68])([H:69])[C@@:39]([O:40][H:70])([H:71])[C@:41]1([O:42][H:72])[H:73]>>[C:1]([C:2]1:[C:3]([H:43]):[C:4]([H:44]):[C:5]2:[C:6](:[C:7]:1[H:45]):[N:8]:[C:9]1:[C:10](=[O:11]):[N:12]([H:46]):[C:13](=[O:14]):[N:15]:[C:16]1:[N:17]:2[C:18]([C@:19]([O:20][H:47])([C@:21]([O:22][H:48])([C@:23]([O:24][H:49])([C:25]([O:26][P:28](=[O:27])([O:29][H:61])[O:30][H:62])([H:51])[H:52])[H:53])[H:54])[H:55])([H:56])[H:57])([H:58])([H:59])[H:60].[H][O:31][C:32]1([H:63])[O:33][C@@:34]([C:35]([O:36][H:64])([H:65])[H:66])([H:67])[C@:37]([O:38][H:68])([H:69])[C@@:39]([O:40][H:70])([H:71])[C@:41]1([O:42][H:72])[H:73]