SMIRKS
[H][N:10]([C:9]1:[C:8]([H:34]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:33]):[C:2]([C:1]([H:39])([H:40])[H:41]):[C:13]:2:[C:12]([H:38]):[C:11]:1[H:37])[H:35].[H]O[C:30]([C:22]([N:21]([C:19]([C:18]([C:17]([C:15](=[O:14])[O:16][H:42])([H:55])[H:56])([H:53])[H:54])=[O:20])[H:52])([C:23]([C:24]1:[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]([H:46]):[C:29]:1[H:47])([H:48])[H:49])[H:51])=[O:31]>>[C:1]([C:2]1:[C:3]([H:33]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:34]):[C:9]([N:10]([C:30]([C@@:22]([N:21]([C:19]([C:18]([C:17]([C:15](=[O:14])[O:16][H:42])([H:55])[H:56])([H:53])[H:54])=[O:20])[H:52])([C:23]([C:24]3:[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]([H:46]):[C:29]:3[H:47])([H:48])[H:49])[H:51])=[O:31])[H:35]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1:2)([H:39])([H:40])[H:41]
Derived Operators
EVODEX.1-F33 - Elemental Balance
| O | -1 |
| H | -2 |
EVODEX.1-M4 - Mass Difference
-18.010559999999998
EVODEX.1-E499 - Reaction Operator E
[#7:1](-[#6@@:2])(-[H:71])-[H].[#7:8]-[#6@:9](-[#6:10](=[#8:11])-[#8]-[H])(-[#6@:13])-[H:79]>>[#7:1](-[#6@@:2])(-[#6:10](-[#6@@:9](-[#7:8])(-[#6@:13])-[H:79])=[#8:11])-[H:71]
EVODEX.1-N1391 - Reaction Operator N
[H]-[#8]-[#6:31](-[#6@:2](-[#6:1])(-[#7:3])-[H:71])=[#8:32].[H]-[#7:34](-[#6:35])-[H:79]>>[#6:1]-[#6:2](-[#7:3])(-[#6:31](=[#8:32])-[#7:34](-[#6:35])-[H:79])-[H:71]
EVODEX.1-Em33 - Reaction Operator Em
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
EVODEX.1-Nm34 - Reaction Operator Nm
[H]-[#8]-[#6:42](-[#6:40])=[#8:43].[H]-[#7:47]-[#6:46]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46]
Source Full Reactions
EVODEX.1-R5769
[H][N:10]([C:9]1:[C:8]([H:34]):[C:7]2:[O:6]:[C:4](=[O:5]):[C:3]([H:33]):[C:2]([C:1]([H:39])([H:40])[H:41]):[C:13]:2:[C:12]([H:38]):[C:11]:1[H:37])[H:35].[O:14]=[C:15]([O:16][H:42])[C:17]([C:18]([C:19](=[O:20])[N:21]([C:22]([C:23]([C:24]1:[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]([H:46]):[C:29]:1[H:47])([H:48])[H:49])([C:30](=[O:31])[O:32][H:50])[H:51])[H:52])([H:53])[H:54])([H:55])[H:56]>>[C:1]([C:2]1:[C:3]([H:33]):[C:4](=[O:5]):[O:6]:[C:7]2:[C:8]([H:34]):[C:9]([N:10]([C:30]([C@@:22]([N:21]([C:19]([C:18]([C:17]([C:15](=[O:14])[O:16][H:42])([H:55])[H:56])([H:53])[H:54])=[O:20])[H:52])([C:23]([C:24]3:[C:25]([H:43]):[C:26]([H:44]):[C:27]([H:45]):[C:28]([H:46]):[C:29]:3[H:47])([H:48])[H:49])[H:51])=[O:31])[H:35]):[C:11]([H:37]):[C:12]([H:38]):[C:13]:1:2)([H:39])([H:40])[H:41].[H][O:32][H:50]