SMIRKS
[H]N([H])[C@:39]1([H])[C@:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]1([O:38][H:68])[H:69].[H]OC(=O)C(C([H])([H])C([H])([H])C(=O)O[H])=[O:47]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]([O:38][H:68])([H:69])[C:39]1=[O:47])[H:73])([H:74])([H:75])[H:76]
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-C1293 - Reaction Operator C
[H]-[#7](-[H])-[#6@:39](-[H])-[#6@:5].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:47]>>[#6:39](-[#6@@:5])=[#8:47]
EVODEX.1-N1609 - Reaction Operator N
[H]-[#7](-[H])-[#6@:39](-[H])(-[#6@:5](-[#7:4])(-[H:51])-[#6@:6])-[#6@:37].[H]-[#8]-[#6](=[#8])-[#6](-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](=[#8])-[#8]-[H])=[#8:47]>>[#7:4]-[#6@@:5](-[H:51])(-[#6@:6])-[#6:39](-[#6@:37])=[#8:47]
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-R3858
[H][C@@:39]1([N:40]([H:70])[H:71])[C@:5]([N:4]([C:2]([C:1]([H:74])([H:75])[H:76])=[O:3])[H:73])([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]1([O:38][H:68])[H:69].[O:41]=[C:42]([O:43][H:77])[C:44]([C:45]([C:46](=[O:47])[C:48](=[O:49])[O:50][H:78])([H:79])[H:80])([H:81])[H:82]>>[C:1]([C:2](=[O:3])[N:4]([C@@:5]1([H:51])[C@:6]([O:7][P:8](=[O:9])([O:10][H:52])[O:11][P:12](=[O:13])([O:14][H:53])[O:15][C:16]([C@@:17]2([H:54])[O:18][C@:19]([N:20]3:[C:21]([H:55]):[C:22]([H:56]):[C:23](=[O:24]):[N:25]([H:57]):[C:26]:3=[O:27])([H:58])[C@@:28]([O:29][H:59])([H:60])[C@@:30]2([O:31][H:61])[H:62])([H:63])[H:64])([H:65])[O:32][C@@:33]([C:34](=[O:35])[O:36][H:66])([H:67])[C@:37]([O:38][H:68])([H:69])[C:39]1=[O:47])[H:73])([H:74])([H:75])[H:76].[H][C@:46]([N:40]([H:70])[H:71])([C:45]([C:44]([C:42](=[O:41])[O:43][H:77])([H:81])[H:82])([H:79])[H:80])[C:48](=[O:49])[O:50][H:78]