SMIRKS
[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:58])([H:59])[H:60])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:61])([H:62])[H:63])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:64])[O:20][P:21](=[O:22])([O:23][H:65])[O:24][H:66])([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])([H:80])([H:81])[H:82].[H][S:48][C:47]([C@@:45]([C:43]([N:42]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([C:52](=[O:53])[O:54][H:110])[H:111])[H:109])=[O:32])([C:49]([C:50]([H:101])([H:102])[H:103])([C:51]([H:104])([H:105])[H:106])[H:107])[H:108])[H:100])=[O:36])([C:38]([C:39]([C:40]([H:83])([H:84])[H:85])([C:41]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])[H:99])[H:98])=[O:44])([N:46]([H:92])[H:93])[H:97])([H:95])[H:96]>>[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:58])([H:59])[H:60])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:61])([H:62])[H:63])=[C:14]([C:15]([S:48][C:47]([C@@:45]([C:43]([N:42]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([C:52](=[O:53])[O:54][H:110])[H:111])[H:109])=[O:32])([C:49]([C:50]([H:101])([H:102])[H:103])([C:51]([H:104])([H:105])[H:106])[H:107])[H:108])[H:100])=[O:36])([C:38]([C:39]([C:40]([H:83])([H:84])[H:85])([C:41]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])[H:99])[H:98])=[O:44])([N:46]([H:92])[H:93])[H:97])([H:95])[H:96])([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])([H:80])([H:81])[H:82].[H][O:16][P:17](=[O:18])([O:19][H:64])[O:20][P:21](=[O:22])([O:23][H:65])[O:24][H:66]
Derived Operators
EVODEX.1-E90 - Reaction Operator E
[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:73])-[H:74].([#6:33]-[#6@:34](-[#7:35]-[#6:36]-[#6@@:38](-[#7:39])(-[#6:46])-[H:111])(-[#6:49])-[H:119].[#6:44]-[#16:45]-[H])>>([#6:19]-[#6:20](-[#16:45]-[#6:44])(-[H:73])-[H:74].[#7:39]-[#6@:38](-[#6:36]-[#7:35]-[#6@@:34](-[#6:33])(-[#6:49])-[H:119])(-[#6:46])-[H:111]).[#8:21](-[#15:22])-[H]
EVODEX.1-N4 - Reaction Operator N
[#6:19]-[#6:20](-[#8:21]-[#15:22])(-[H:90])-[H:91].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20](-[#16:44]-[#6:43])(-[H:90])-[H:91].[H]-[#8:21]-[#15:22]
EVODEX.1-Em37 - Reaction Operator Em
[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]
EVODEX.1-Nm41 - Reaction Operator Nm
[#6:19]-[#6:20]-[#8:21]-[#15:22].[H]-[#16:44]-[#6:43]>>[#6:19]-[#6:20]-[#16:44]-[#6:43].[H]-[#8:21]-[#15:22]
Source Full Reactions
EVODEX.1-R3428
[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:58])([H:59])[H:60])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:61])([H:62])[H:63])=[C:14]([C:15]([O:16][P:17](=[O:18])([O:19][H:64])[O:20][P:21](=[O:22])([O:23][H:65])[O:24][H:66])([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])([H:80])([H:81])[H:82].[H][S:48][C:47]([C@@:45]([C:43]([N:42]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([C:52](=[O:53])[O:54][H:110])[H:111])[H:109])=[O:32])([C:49]([C:50]([H:101])([H:102])[H:103])([C:51]([H:104])([H:105])[H:106])[H:107])[H:108])[H:100])=[O:36])([C:38]([C:39]([C:40]([H:83])([H:84])[H:85])([C:41]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])[H:99])[H:98])=[O:44])([N:46]([H:92])[H:93])[H:97])([H:95])[H:96]>>[C:1]([C:2]([C:3]([H:55])([H:56])[H:57])=[C:4]([C:5]([C:6]([C:7]([C:8]([H:58])([H:59])[H:60])=[C:9]([C:10]([C:11]([C:12]([C:13]([H:61])([H:62])[H:63])=[C:14]([C:15]([S:48][C:47]([C@@:45]([C:43]([N:42]([C@:37]([C:35]([N:34]([C@:33]([C:31]([N:30]([C@@:29]([C:28]([C:27]([S:26][C:25]([H:116])([H:117])[H:118])([H:114])[H:115])([H:112])[H:113])([C:52](=[O:53])[O:54][H:110])[H:111])[H:109])=[O:32])([C:49]([C:50]([H:101])([H:102])[H:103])([C:51]([H:104])([H:105])[H:106])[H:107])[H:108])[H:100])=[O:36])([C:38]([C:39]([C:40]([H:83])([H:84])[H:85])([C:41]([H:86])([H:87])[H:88])[H:89])([H:90])[H:91])[H:99])[H:98])=[O:44])([N:46]([H:92])[H:93])[H:97])([H:95])[H:96])([H:67])[H:68])[H:69])([H:70])[H:71])([H:72])[H:73])[H:74])([H:75])[H:76])([H:77])[H:78])[H:79])([H:80])([H:81])[H:82].[H][O:16][P:17](=[O:18])([O:19][H:64])[O:20][P:21](=[O:22])([O:23][H:65])[O:24][H:66]