SMIRKS
[H]N([H])[C@@:23]1([H])[C:22]([H:55])([H:56])[C:21]([H:53])([H:54])[C@:20]([C:19]([P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:68])[C@:7]([O:8][H:48])([H:49])[C:6]([H:46])([H:47])[C@@:5]([N:4]3:[C:3]([H:44]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:32](=[O:33]):[N:31]([H:69]):[C:29]:3=[O:30])([H:45])[O:28]2)([H:66])[H:67])(=[O:13])[O:14][H:50])(=[O:17])[O:18][H:51])([H:64])[H:65])([H:52])[O:27][C@@:25]1([C:26]([H:60])([H:61])[H:62])[H:63].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:40]>>[C:1]([C:2]1:[C:3]([H:44]):[N:4]([C@@:5]2([H:45])[C:6]([H:46])([H:47])[C@@:7]([O:8][H:48])([H:49])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[C:19]([C@:20]3([H:52])[C:21]([H:53])([H:54])[C:22]([H:55])([H:56])[C:23](=[O:40])[C@:25]([C:26]([H:60])([H:61])[H:62])([H:63])[O:27]3)([H:64])[H:65])([H:66])[H:67])([H:68])[O:28]2):[C:29](=[O:30]):[N:31]([H:69]):[C:32]:1=[O:33])([H:70])([H:71])[H:72]
Derived Operators
EVODEX.1-F279 - Elemental Balance
| O | -4 |
| C | -5 |
| N | -1 |
| H | -9 |
EVODEX.1-M36 - Mass Difference
-147.05317
EVODEX.1-E1035 - Reaction Operator E
[#7](-[#6@:39](-[#6@@:5])(-[#6@:37])-[H])(-[H])-[H].[#8]=[#6](-[#8]-[H])-[#6](-[#6](-[#6](=[#8:47])-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H]>>[#6:39](-[#6@@:5])(-[#6@:37])=[#8:47]
EVODEX.1-C1285 - Reaction Operator C
([H]-[#7](-[H])-[#6@@:23](-[H])-[#6@@:25].[#6@:7]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:40]>>([#6:23](=[#8:40])-[#6@:25].[#6@@:7])
EVODEX.1-N1601 - Reaction Operator N
([H]-[#7](-[H])-[#6@@:23](-[H])(-[#6:22])-[#6@:25](-[#8:27])(-[#6:26])-[H:63].[#8:8]-[#6@@:7](-[#6@:9])(-[H:49])-[#6:6]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:40]>>([#6:6]-[#6@@:7](-[#8:8])(-[H:49])-[#6@:9].[#6:22]-[#6:23](=[#8:40])-[#6@:25](-[#6:26])(-[H:63])-[#8:27])
EVODEX.1-Em109 - Reaction Operator Em
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6](=[#8])-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
EVODEX.1-Nm12 - Reaction Operator Nm
[H]-[#7](-[H])-[#6:39](-[H])(-[#6:5])-[#6:37].[#6]-[#6](-[#6])=[#8:47]>>[#6:5]-[#6:39](-[#6:37])=[#8:47]
Source Full Reactions
EVODEX.1-R3524
[H][C@:23]1([N:24]([H:57])[H:58])[C:22]([H:55])([H:56])[C:21]([H:53])([H:54])[C@:20]([C:19]([P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:68])[C@:7]([O:8][H:48])([H:49])[C:6]([H:46])([H:47])[C@@:5]([N:4]3:[C:3]([H:44]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:32](=[O:33]):[N:31]([H:69]):[C:29]:3=[O:30])([H:45])[O:28]2)([H:66])[H:67])(=[O:13])[O:14][H:50])(=[O:17])[O:18][H:51])([H:64])[H:65])([H:52])[O:27][C@@:25]1([C:26]([H:60])([H:61])[H:62])[H:63].[O:34]=[C:35]([O:36][H:73])[C:37]([C:38]([C:39](=[O:40])[C:41](=[O:42])[O:43][H:74])([H:75])[H:76])([H:77])[H:78]>>[C:1]([C:2]1:[C:3]([H:44]):[N:4]([C@@:5]2([H:45])[C:6]([H:46])([H:47])[C@@:7]([O:8][H:48])([H:49])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:50])[O:15][P:16](=[O:17])([O:18][H:51])[C:19]([C@:20]3([H:52])[C:21]([H:53])([H:54])[C:22]([H:55])([H:56])[C:23](=[O:40])[C@:25]([C:26]([H:60])([H:61])[H:62])([H:63])[O:27]3)([H:64])[H:65])([H:66])[H:67])([H:68])[O:28]2):[C:29](=[O:30]):[N:31]([H:69]):[C:32]:1=[O:33])([H:70])([H:71])[H:72].[H][C@:39]([N:24]([H:57])[H:58])([C:38]([C:37]([C:35](=[O:34])[O:36][H:73])([H:77])[H:78])([H:75])[H:76])[C:41](=[O:42])[O:43][H:74]