SMIRKS
[H]OP(=O)(O[H])O[P:30]([O:29][P:26]([O:25][C:24]([C@@:23]1([H:64])[O:22][C@:21]([N:20]2:[C:16]3:[N:15]:[C:14]([H:55]):[N:13]:[C:12]([N:11]([H:69])[H:70]):[C:17]:3:[N:18]:[C:19]:2[H:56])([H:57])[C@@:40]([O:41][H:67])([H:68])[C@@:38]1([O:39][H:65])[H:66])([H:62])[H:63])(=[O:27])[O:28][H:58])(=[O:31])[O:32][H:59].[H][N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:71])[H:72])([C:8](=[O:9])[O:10][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83].[O:42]=[C:43]([O:44][H:85])[C:45]([C:46]1:[C:47]([H:86]):[N:48]([H:87]):[C:49]2:[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]([H:91]):[C:54]:1:2)([H:92])[H:93]>>[N:11]([C:12]1:[N:13]:[C:14]([H:55]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:56]):[N:20]:2[C@:21]1([H:57])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:58])[O:29][P:30](=[O:31])([O:32][H:59])[O:44][H:85])([H:62])[H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@:40]1([O:41][H:67])[H:68])([H:69])[H:70].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:71])[H:72])([C:8](=[O:9])[O:10][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([C:43](=[O:42])[C:45]([C:46]1:[C:47]([H:86]):[N:48]([H:87]):[C:49]2:[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]([H:91]):[C:54]:1:2)([H:92])[H:93])[H:83]
Derived Operators
EVODEX.1-F175 - Elemental Balance
| P | -1 |
| O | -4 |
| H | -3 |
EVODEX.1-M10 - Mass Difference
-97.97689
EVODEX.1-E848 - Reaction Operator E
[#7:5](-[#6@:4])(-[H:51])-[H].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[H].[#8:40]=[#6:41](-[#8:42]-[H:75])-[#6@:43]>>[#7:5](-[#6@:4])(-[#6:41](=[#8:40])-[#6@:43])-[H:51].[#8:27]-[#15:28](=[#8:29])(-[#8:30])-[#8:42]-[H:75]
EVODEX.1-C1145 - Reaction Operator C
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:30].[#6@@:40]-[#6@@:38]).[H]-[#7:1].[#6:43]-[#8:44]>>([#15:30]-[#8:44].[#6@:38]-[#6@:40]).[#7:1]-[#6:43]
EVODEX.1-N1420 - Reaction Operator N
([H]-[#8]-[#15](=[#8])(-[#8]-[H])-[#8]-[#15:30](-[#8:29])(=[#8:31])-[#8:32].[#8:41]-[#6@:40](-[#6@:21])(-[H:68])-[#6@@:38](-[#6@@:23])(-[#8:39])-[H:66]).[H]-[#7:1](-[#6:2])-[H:83].[#8:42]=[#6:43](-[#8:44]-[H:85])-[#6:45]>>([#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:44]-[H:85].[#8:39]-[#6@@:38](-[#6@@:23])(-[H:66])-[#6@:40](-[#6@:21])(-[#8:41])-[H:68]).[#7:1](-[#6:2])(-[#6:43](=[#8:42])-[#6:45])-[H:83]
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-R7684
[N:11]([C:12]1:[N:13]:[C:14]([H:55]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:56]):[N:20]:2[C@:21]1([H:57])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:58])[O:29][P:30](=[O:31])([O:32][H:59])[O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61])([H:62])[H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@:40]1([O:41][H:67])[H:68])([H:69])[H:70].[H][N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:71])[H:72])([C:8](=[O:9])[O:10][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])[H:83].[O:42]=[C:43]([O:44][H:85])[C:45]([C:46]1:[C:47]([H:86]):[N:48]([H:87]):[C:49]2:[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]([H:91]):[C:54]:1:2)([H:92])[H:93]>>[N:11]([C:12]1:[N:13]:[C:14]([H:55]):[N:15]:[C:16]2:[C:17]:1:[N:18]:[C:19]([H:56]):[N:20]:2[C@:21]1([H:57])[O:22][C@@:23]([C:24]([O:25][P:26](=[O:27])([O:28][H:58])[O:29][P:30](=[O:31])([O:32][H:59])[O:44][H:85])([H:62])[H:63])([H:64])[C@:38]([O:39][H:65])([H:66])[C@:40]1([O:41][H:67])[H:68])([H:69])[H:70].[N:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([N:7]([H:71])[H:72])([C:8](=[O:9])[O:10][H:73])[H:74])([H:75])[H:76])([H:77])[H:78])([H:79])[H:80])([H:81])[H:82])([C:43](=[O:42])[C:45]([C:46]1:[C:47]([H:86]):[N:48]([H:87]):[C:49]2:[C:50]([H:88]):[C:51]([H:89]):[C:52]([H:90]):[C:53]([H:91]):[C:54]:1:2)([H:92])[H:93])[H:83].[H][O:33][P:34](=[O:35])([O:36][H:60])[O:37][H:61]