SMIRKS
[H]O[C@@]1([H])[C@@]([H])(O[H])[C@]([H])(N2:C([H]):C([H]):C(=O):N([H]):C:2=O)O[C@]1([H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])O[C@@:37]1([H:60])[O:38][C@@:39]([C:40]([O:41][H:61])([H:62])[H:63])([H:64])[C@:42]([O:43][H:65])([H:66])[C@@:44]([O:45][H:67])([H:68])[C@:46]1([O:47][H:69])[H:70].[H][O:17][C:16]1:[C:15]([H:87]):[C:14]([H:86]):[C:13]([H:85]):[C:12]2:[O:11]:[C:4]([C:5]3:[C:6]([H:80]):[C:7]([H:81]):[C:8]([H:82]):[C:9]([H:83]):[C:10]:3[H:84]):[C:3]([H:79]):[C:2](=[O:1]):[C:18]:2:1>>[O:1]=[C:2]1:[C:3]([H:79]):[C:4]([C:5]2:[C:6]([H:80]):[C:7]([H:81]):[C:8]([H:82]):[C:9]([H:83]):[C:10]:2[H:84]):[O:11]:[C:12]2:[C:13]([H:85]):[C:14]([H:86]):[C:15]([H:87]):[C:16]([O:17][C@:37]3([H:60])[O:38][C@@:39]([C:40]([O:41][H:61])([H:62])[H:63])([H:64])[C@:42]([O:43][H:65])([H:66])[C@@:44]([O:45][H:67])([H:68])[C@:46]3([O:47][H:69])[H:70]):[C:18]:1:2
Derived Operators
EVODEX.1-F328 - Elemental Balance
| P | -2 |
| O | -12 |
| C | -9 |
| N | -2 |
| H | -14 |
EVODEX.1-M18 - Mass Difference
-404.00222
EVODEX.1-E1110 - Reaction Operator E
[#6:10]-[#8:11]-[H].[#8]=[#6]1:[#6](-[H]):[#6](-[H]):[#7](-[#6@]2(-[H])-[#8]-[#6@@](-[#6](-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:42](-[H:75])(-[#8:43])-[#6@:49])(-[H])-[H])(-[H])-[#6@](-[#8]-[H])(-[H])-[#6@]-2(-[#8]-[H])-[H]):[#6](=[#8]):[#7]:1-[H]>>[#6:10]-[#8:11]-[#6@:42](-[H:75])(-[#8:43])-[#6@:49]
EVODEX.1-C64 - Reaction Operator C
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19].[H]-[#8:53]>>[#8:53]-[#6@@:19]
EVODEX.1-N23 - Reaction Operator N
[H]-[#8]-[#6@@]1(-[H])-[#6@@](-[H])(-[#8]-[H])-[#6@](-[H])(-[#7]2:[#6](-[H]):[#6](-[H]):[#6](=[#8]):[#7](-[H]):[#6]:2=[#8])-[#8]-[#6@]-1(-[H])-[#6](-[H])(-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26].[H]-[#8:53]-[#6@:52]>>[#8:53](-[#6@@:19](-[H:61])(-[#8:20])-[#6@:26])-[#6@:52]
EVODEX.1-Em13 - Reaction Operator Em
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
EVODEX.1-Nm17 - Reaction Operator Nm
[#15]-[#8]-[#6:19](-[#8:20])-[#6:26].[H]-[#8:53]-[#6:52]>>[#6:19](-[#8:53]-[#6:52])(-[#8:20])-[#6:26]
Source Full Reactions
EVODEX.1-R3164
[O:19]=[C:20]1:[C:21]([H:55]):[C:22]([H:56]):[N:23]([C@:24]2([H:57])[O:25][C@@:26]([C:27]([O:28][P:29](=[O:30])([O:31][H:58])[O:32][P:33](=[O:34])([O:35][H:59])[O:36][C@@:37]3([H:60])[O:38][C@@:39]([C:40]([O:41][H:61])([H:62])[H:63])([H:64])[C@:42]([O:43][H:65])([H:66])[C@@:44]([O:45][H:67])([H:68])[C@:46]3([O:47][H:69])[H:70])([H:71])[H:72])([H:73])[C@:48]([O:49][H:74])([H:75])[C@:50]2([O:51][H:76])[H:77]):[C:52](=[O:53]):[N:54]:1[H:78].[H][O:17][C:16]1:[C:15]([H:87]):[C:14]([H:86]):[C:13]([H:85]):[C:12]2:[O:11]:[C:4]([C:5]3:[C:6]([H:80]):[C:7]([H:81]):[C:8]([H:82]):[C:9]([H:83]):[C:10]:3[H:84]):[C:3]([H:79]):[C:2](=[O:1]):[C:18]:2:1>>[H][O:36][P:33]([O:32][P:29]([O:28][C:27]([C@@:26]1([H:73])[O:25][C@:24]([N:23]2:[C:22]([H:56]):[C:21]([H:55]):[C:20](=[O:19]):[N:54]([H:78]):[C:52]:2=[O:53])([H:57])[C@@:50]([O:51][H:76])([H:77])[C@@:48]1([O:49][H:74])[H:75])([H:71])[H:72])(=[O:30])[O:31][H:58])(=[O:34])[O:35][H:59].[O:1]=[C:2]1:[C:3]([H:79]):[C:4]([C:5]2:[C:6]([H:80]):[C:7]([H:81]):[C:8]([H:82]):[C:9]([H:83]):[C:10]:2[H:84]):[O:11]:[C:12]2:[C:13]([H:85]):[C:14]([H:86]):[C:15]([H:87]):[C:16]([O:17][C@:37]3([H:60])[O:38][C@@:39]([C:40]([O:41][H:61])([H:62])[H:63])([H:64])[C@:42]([O:43][H:65])([H:66])[C@@:44]([O:45][H:67])([H:68])[C@:46]3([O:47][H:69])[H:70]):[C:18]:1:2