SMIRKS
[H][N:10]([C@:11]([C:12]([C:13](=[O:14])[O:15][H:50])([H:51])[H:52])([C:16](=[O:17])[O:18][H:53])[H:54])[H:55].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[N:1]([C@:2]([C:3]([C:4](=[O:5])[O:6][H:73])([H:74])[H:75])([C:7](=[O:8])[O:9][H:76])[H:77])([H:78])[H:79]>>[N:1]([C@:2]([C:3]([C:4](=[O:5])[O:6][H:73])([H:74])[H:75])([C:7](=[O:8])[N:10]([C@:11]([C:12]([C:13](=[O:14])[O:15][H:50])([H:51])[H:52])([C:16](=[O:17])[O:18][H:53])[H:54])[H:55])[H:77])([H:78])[H:79].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63].[O:9]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61])[H:76]
Derived Operators
EVODEX.1-E137 - Reaction Operator E
[#6:2]-[#6:3](=[#8:4])-[#8:5]-[H:51].([#8:38]-[#15:39](=[#8:40])(-[#8:41])-[#8:42]-[#15:43].[#8:48]-[#6@@:47](-[#6@@:32])(-[H:67])-[#6@:49](-[#6@:30])(-[#8:50])-[H:69]).[#7:6](-[#6@:7])(-[H:84])-[H]>>[#6:2]-[#6:3](=[#8:4])-[#7:6](-[#6@:7])-[H:84].[#8:42](-[#15:43])-[H].([#8:5](-[#15:39](-[#8:38])(=[#8:40])-[#8:41])-[H:51].[#8:50]-[#6@:49](-[#6@:30])(-[H:69])-[#6@@:47](-[#6@@:32])(-[#8:48])-[H:67])
EVODEX.1-C164 - Reaction Operator C
[#6:47]-[#8:49].[H]-[#7:57].([#15:80]-[#8:83].[#6@:88]-[#6@:90])>>[#6:47]-[#7:57].([#8:49]-[#15:80].[#6@@:90]-[#6@@:88]).[H]-[#8:83]
EVODEX.1-N79 - Reaction Operator N
[#6:47](-[#6@@:45])(=[#8:48])-[#8:49]-[H:119].[H]-[#7:57](-[#6@:56])-[H:131].([#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84].[#8:89]-[#6@@:88](-[#6@@:73])(-[H:150])-[#6@:90](-[#6@:71])(-[#8:91])-[H:152])>>[#6:47](-[#6@@:45])(=[#8:48])-[#7:57](-[#6@:56])-[H:131].([#8:49](-[#15:80](-[#8:79])(=[#8:81])-[#8:82])-[H:119].[#8:91]-[#6@:90](-[#6@:71])(-[H:152])-[#6@@:88](-[#6@@:73])(-[#8:89])-[H:150]).[H]-[#8:83]-[#15:84]
EVODEX.1-Em45 - Reaction Operator Em
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
EVODEX.1-Cm71 - Reaction Operator Cm
[#6:47]-[#8:49].[H]-[#7:57].[#15:80]-[#8:83]>>[#6:47]-[#7:57].[#8:49]-[#15:80].[H]-[#8:83]
EVODEX.1-Nm50 - Reaction Operator Nm
[#6:45]-[#6:47](=[#8:48])-[#8:49].[H]-[#7:57]-[#6:56].[#8:79]-[#15:80](=[#8:81])(-[#8:82])-[#8:83]-[#15:84]>>[#6:45]-[#6:47](=[#8:48])-[#7:57]-[#6:56].[#8:49]-[#15:80](-[#8:79])(=[#8:81])-[#8:82].[H]-[#8:83]-[#15:84]
Source Full Reactions
EVODEX.1-R7724
[H][N:10]([C@:11]([C:12]([C:13](=[O:14])[O:15][H:50])([H:51])[H:52])([C:16](=[O:17])[O:18][H:53])[H:54])[H:55].[N:19]([C:20]1:[N:21]:[C:22]([H:57]):[N:23]:[C:24]2:[C:25]:1:[N:26]:[C:27]([H:58]):[N:28]:2[C@:29]1([H:59])[O:30][C@@:31]([C:32]([O:33][P:34](=[O:35])([O:36][H:60])[O:37][P:38](=[O:39])([O:40][H:61])[O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63])([H:64])[H:65])([H:66])[C@:46]([O:47][H:67])([H:68])[C@:48]1([O:49][H:69])[H:70])([H:71])[H:72].[N:1]([C@:2]([C:3]([C:4](=[O:5])[O:6][H:73])([H:74])[H:75])([C:7](=[O:8])[O:9][H:76])[H:77])([H:78])[H:79]>>[N:1]([C@:2]([C:3]([C:4](=[O:5])[O:6][H:73])([H:74])[H:75])([C:7](=[O:8])[N:10]([C@:11]([C:12]([C:13](=[O:14])[O:15][H:50])([H:51])[H:52])([C:16](=[O:17])[O:18][H:53])[H:54])[H:55])[H:77])([H:78])[H:79].[H][O:41][P:42](=[O:43])([O:44][H:62])[O:45][H:63].[O:9]([P:38]([O:37][P:34]([O:33][C:32]([C@@:31]1([H:66])[O:30][C@:29]([N:28]2:[C:24]3:[N:23]:[C:22]([H:57]):[N:21]:[C:20]([N:19]([H:71])[H:72]):[C:25]:3:[N:26]:[C:27]:2[H:58])([H:59])[C@@:48]([O:49][H:69])([H:70])[C@@:46]1([O:47][H:67])[H:68])([H:64])[H:65])(=[O:35])[O:36][H:60])(=[O:39])[O:40][H:61])[H:76]