SMIRKS
[H]N([H])[C@:24]1([H])[C@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[O:21][C@@:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:68])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]3:[C:3]([H:46]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:34](=[O:35]):[N:33]([H:69]):[C:31]:3=[O:32])([H:47])[O:30]2)([H:66])[H:67])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53])([H:54])[C@@:28]([O:29][H:64])([H:65])[C@:26]1([O:27][H:62])[H:63].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:42]>>[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][C@@:20]3([H:54])[O:21][C@@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[C:24](=[O:42])[C@@:26]([O:27][H:62])([H:63])[C@:28]3([O:29][H:64])[H:65])([H:66])[H:67])([H:68])[O:30]2):[C:31](=[O:32]):[N:33]([H:69]):[C:34]:1=[O:35])([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-C1288 - Reaction Operator C
([H]-[#7](-[H])-[#6@:24](-[H])(-[#6@:22])-[#6@:26]-[#6@@:28].[#6@:7]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:42]>>([#6:24](-[#6@@:22])(=[#8:42])-[#6@@:26]-[#6@:28].[#6@@:7])
EVODEX.1-N1604 - Reaction Operator N
([H]-[#7](-[H])-[#6@:24]1(-[H])-[#6@:22](-[#6:23])(-[H:58])-[#8:21]-[#6@@:20]-[#6@@:28](-[#8:29])(-[H:65])-[#6@:26]-1(-[#8:27])-[H:63].[#8:8]-[#6@@:7](-[#6@:9])(-[H:51])-[#6:6]).[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:42]>>([#6:6]-[#6@@:7](-[#8:8])(-[H:51])-[#6@:9].[#8:21]1-[#6@@:20]-[#6@@:28](-[#6@:26](-[#6:24](-[#6@:22]-1(-[#6:23])-[H:58])=[#8:42])(-[#8:27])-[H:63])(-[#8:29])-[H:65])
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-R3657
[H][C@@:24]1([N:25]([H:59])[H:60])[C@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[O:21][C@@:20]([O:19][P:16]([O:15][P:12]([O:11][C:10]([C@:9]2([H:68])[C@:7]([O:8][H:50])([H:51])[C:6]([H:48])([H:49])[C@@:5]([N:4]3:[C:3]([H:46]):[C:2]([C:1]([H:70])([H:71])[H:72]):[C:34](=[O:35]):[N:33]([H:69]):[C:31]:3=[O:32])([H:47])[O:30]2)([H:66])[H:67])(=[O:13])[O:14][H:52])(=[O:17])[O:18][H:53])([H:54])[C@@:28]([O:29][H:64])([H:65])[C@:26]1([O:27][H:62])[H:63].[O:36]=[C:37]([O:38][H:73])[C:39]([C:40]([C:41](=[O:42])[C:43](=[O:44])[O:45][H:74])([H:75])[H:76])([H:77])[H:78]>>[C:1]([C:2]1:[C:3]([H:46]):[N:4]([C@@:5]2([H:47])[C:6]([H:48])([H:49])[C@@:7]([O:8][H:50])([H:51])[C@:9]([C:10]([O:11][P:12](=[O:13])([O:14][H:52])[O:15][P:16](=[O:17])([O:18][H:53])[O:19][C@@:20]3([H:54])[O:21][C@@:22]([C:23]([H:55])([H:56])[H:57])([H:58])[C:24](=[O:42])[C@@:26]([O:27][H:62])([H:63])[C@:28]3([O:29][H:64])[H:65])([H:66])[H:67])([H:68])[O:30]2):[C:31](=[O:32]):[N:33]([H:69]):[C:34]:1=[O:35])([H:70])([H:71])[H:72].[H][C@:41]([N:25]([H:59])[H:60])([C:40]([C:39]([C:37](=[O:36])[O:38][H:73])([H:77])[H:78])([H:75])[H:76])[C:43](=[O:44])[O:45][H:74]