SMIRKS
[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:59]):[N:6]:[C:7]([H:60]):[N:8]:1[H:61])([H:62])[H:63])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:64]):[N:16]:[C:17]([H:65]):[N:18]:1[H:66])([H:67])[H:68])([C:19](=[O:20])[O:21][H:69])[H:70])[H:71])[H:72])[H:73].[N:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81].[H]OP(=O)(O[H])OP(=O)(O[H])O[P:43]([O:42][C:41]([C@@:40]1([H:91])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:82]):[N:30]:[C:29]([N:28]([H:96])[H:97]):[C:34]:3:[N:35]:[C:36]:2[H:83])([H:84])[C@@:57]([O:58][H:94])([H:95])[C@@:55]1([O:56][H:92])[H:93])([H:89])[H:90])(=[O:44])[O:45][H:85]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:59]):[N:6]:[C:7]([H:60]):[N:8]:1[H:61])([H:62])[H:63])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:64]):[N:16]:[C:17]([H:65]):[N:18]:1[H:66])([H:67])[H:68])([C:19](=[O:20])[O:21][H:69])[H:70])[H:71])[H:72])([C:25]([C:24]([C:23]([N:22]([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:26])[H:73].[O:27]([P:43]([O:42][C:41]([C@@:40]1([H:91])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:82]):[N:30]:[C:29]([N:28]([H:96])[H:97]):[C:34]:3:[N:35]:[C:36]:2[H:83])([H:84])[C@@:57]([O:58][H:94])([H:95])[C@@:55]1([O:56][H:92])[H:93])([H:89])[H:90])(=[O:44])[O:45][H:85])[H:75]
Derived Operators
EVODEX.1-F111 - Elemental Balance
| P | -2 |
| O | -7 |
| H | -4 |
EVODEX.1-M8 - Mass Difference
-177.94322
EVODEX.1-E704 - Reaction Operator E
[#7:17](-[#6:18])(-[H:61])-[H].[#6:10]-[#6:11](=[#8:12])-[#8:13]-[H:64].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:52]-[#6@@:51](-[#6@@:36])(-[H:88])-[#6@:53](-[#6@:34])(-[#8:54])-[H:90])>>[#6:10]-[#6:11](=[#8:12])-[#7:17](-[#6:18])-[H:61].([#8:13](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:64].[#8:54]-[#6@:53](-[#6@:34])(-[H:90])-[#6@@:51](-[#6@@:36])(-[#8:52])-[H:88])
EVODEX.1-C789 - Reaction Operator C
[#6:17]-[#8:19].[H]-[#7:20].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42]>>[#6:17]-[#7:20].[#8:19]-[#15:42]
EVODEX.1-N1000 - Reaction Operator N
[#6:16]-[#6:17](=[#8:18])-[#8:19]-[H:66].[H]-[#7:20](-[#6@@:21])-[H:81].[H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:42](-[#8:41])(=[#8:43])-[#8:44]>>[#6:16]-[#6:17](=[#8:18])-[#7:20](-[#6@@:21])-[H:81].[#8:19](-[#15:42](-[#8:41])(=[#8:43])-[#8:44])-[H:66]
EVODEX.1-Em34 - Reaction Operator Em
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
EVODEX.1-Cm50 - Reaction Operator Cm
[#6:42]-[#8:44].[H]-[#7:47].[#8]-[#15:72]>>[#6:42]-[#7:47].[#8:44]-[#15:72]
EVODEX.1-Nm35 - Reaction Operator Nm
[#6:40]-[#6:42](=[#8:43])-[#8:44].[H]-[#7:47]-[#6:46].[#15]-[#8]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]>>[#6:40]-[#6:42](=[#8:43])-[#7:47]-[#6:46].[#8:44]-[#15:72](-[#8:71])(=[#8:73])-[#8:74]
Source Full Reactions
EVODEX.1-R7583
[H][N:1]([C:2]([C:3]([C:4]1:[C:5]([H:59]):[N:6]:[C:7]([H:60]):[N:8]:1[H:61])([H:62])[H:63])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:64]):[N:16]:[C:17]([H:65]):[N:18]:1[H:66])([H:67])[H:68])([C:19](=[O:20])[O:21][H:69])[H:70])[H:71])[H:72])[H:73].[N:22]([C:23]([C:24]([C:25](=[O:26])[O:27][H:75])([H:76])[H:77])([H:78])[H:79])([H:80])[H:81].[N:28]([C:29]1:[N:30]:[C:31]([H:82]):[N:32]:[C:33]2:[C:34]:1:[N:35]:[C:36]([H:83]):[N:37]:2[C@:38]1([H:84])[O:39][C@@:40]([C:41]([O:42][P:43](=[O:44])([O:45][H:85])[O:46][P:47](=[O:48])([O:49][H:86])[O:50][P:51](=[O:52])([O:53][H:87])[O:54][H:88])([H:89])[H:90])([H:91])[C@:55]([O:56][H:92])([H:93])[C@:57]1([O:58][H:94])[H:95])([H:96])[H:97]>>[N:1]([C:2]([C:3]([C:4]1:[C:5]([H:59]):[N:6]:[C:7]([H:60]):[N:8]:1[H:61])([H:62])[H:63])([C:9](=[O:10])[N:11]([C:12]([C:13]([C:14]1:[C:15]([H:64]):[N:16]:[C:17]([H:65]):[N:18]:1[H:66])([H:67])[H:68])([C:19](=[O:20])[O:21][H:69])[H:70])[H:71])[H:72])([C:25]([C:24]([C:23]([N:22]([H:80])[H:81])([H:78])[H:79])([H:76])[H:77])=[O:26])[H:73].[O:27]([P:43]([O:42][C:41]([C@@:40]1([H:91])[O:39][C@:38]([N:37]2:[C:33]3:[N:32]:[C:31]([H:82]):[N:30]:[C:29]([N:28]([H:96])[H:97]):[C:34]:3:[N:35]:[C:36]:2[H:83])([H:84])[C@@:57]([O:58][H:94])([H:95])[C@@:55]1([O:56][H:92])[H:93])([H:89])[H:90])(=[O:44])[O:45][H:85])[H:75].[H][O:46][P:47](=[O:48])([O:49][H:86])[O:50][P:51](=[O:52])([O:53][H:87])[O:54][H:88]