SMIRKS
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:35])[O:11][H:36])([H:37])[H:38]):[C:4]([H:34]):[N:3]:[C:2]([C:1]([H:53])([H:54])[H:55]):[C:29]:1[O:30][H:52])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:39]):[N:19]([H:40]):[C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1:2)([H:45])[H:46])([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50].[O:32]=[O:33]>>O=[C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:35])[O:11][H:36])([H:37])[H:38]):[C:4]([H:34]):[N:3]:[C:2]([C:1]([H:53])([H:54])[H:55]):[C:29]:1[O:30][H:52])[H:50].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:39]):[N:19]([H:40]):[C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1:2)([H:45])[H:46])([C:26](=[O:27])[O:28][H:47])[H:48])[H:49].[H][O:32][O:33][H]
Derived Operators
EVODEX.1-M2 - Mass Difference
18.010559999999998
EVODEX.1-E382 - Reaction Operator E
[#6:1]-[#6:2](-[#7:3](-[#6:4])-[H:28])(-[H:29])-[H].[#8:14]=[#8:15]>>[#6:1]-[#6:2](=[#8])-[H:29].[#7:3](-[#6:4])(-[H:28])-[H].[#8:14](-[#8:15]-[H])-[H]
EVODEX.1-C28 - Reaction Operator C
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-N255 - Reaction Operator N
[H]-[#6:7](-[#7:6](-[#6:5])-[H:22])(-[#6:8])-[H:20].[#8:12]=[#8:13]>>[#8]=[#6:7](-[#6:8])-[H:20].[H]-[#7:6](-[#6:5])-[H:22].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Em377 - Reaction Operator Em
[H]-[#6:7](-[#7:6]-[#6:5])-[#6:8].[#8:12]=[#8:13]>>[#8]=[#6:7]-[#6:8].[H]-[#7:6]-[#6:5].[H]-[#8:12]-[#8:13]-[H]
EVODEX.1-Cm67 - Reaction Operator Cm
[H]-[#6:1]-[#7:2].[#8:13]=[#8:14]>>[#8]=[#6:1].[H]-[#7:2].[H]-[#8:13]-[#8:14]-[H]
EVODEX.1-Nm337 - Reaction Operator Nm
[H]-[#6:7](-[#7:6]-[#6:5])-[#6:8].[#8:12]=[#8:13]>>[#8]=[#6:7]-[#6:8].[H]-[#7:6]-[#6:5].[H]-[#8:12]-[#8:13]-[H]
Source Full Reactions
EVODEX.1-R1025
[H][C:13]([C:12]1:[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:35])[O:11][H:36])([H:37])[H:38]):[C:4]([H:34]):[N:3]:[C:2]([C:1]([H:53])([H:54])[H:55]):[C:29]:1[O:30][H:52])([N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:39]):[N:19]([H:40]):[C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1:2)([H:45])[H:46])([C:26](=[O:27])[O:28][H:47])[H:48])[H:49])[H:50].[O:32]=[O:33].[H][O:31][H]>>[C:1]([C:2]1:[N:3]:[C:4]([H:34]):[C:5]([C:6]([O:7][P:8](=[O:9])([O:10][H:35])[O:11][H:36])([H:37])[H:38]):[C:12]([C:13](=[O:31])[H:50]):[C:29]:1[O:30][H:52])([H:53])([H:54])[H:55].[H][N:14]([C@@:15]([C:16]([C:17]1:[C:18]([H:39]):[N:19]([H:40]):[C:20]2:[C:21]([H:41]):[C:22]([H:42]):[C:23]([H:43]):[C:24]([H:44]):[C:25]:1:2)([H:45])[H:46])([C:26](=[O:27])[O:28][H:47])[H:48])[H:49].[H][O:32][O:33][H]