SMIRKS
[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])N([H])[C:47]([C@@:44]([N:43]([C:41]([C@@:36]([N:35]([C:33]([C@@:27]([N:26]([C:24]([C:23]([N:22]([C:20]([C@@:19]1([H:110])[N:15]([C:13]([C@@:12]2([H:111])[N:8]([C:6]([C@:4]([C:2]([C:1]([H:114])([H:115])[H:116])([C:3]([H:60])([H:61])[H:62])[H:113])([N:5]([H:63])[H:64])[H:112])=[O:7])[C:9]([H:65])([H:66])[C:10]([H:67])([H:68])[C:11]2([H:69])[H:70])=[O:14])[C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C:18]1([H:75])[H:76])=[O:21])[H:109])([H:107])[H:108])=[O:25])[H:106])([C:28]([C:29]([C:30](=[O:31])[O:32][H:77])([H:78])[H:79])([H:80])[H:81])[H:105])=[O:34])[H:104])([C:37]([C:38](=[O:39])[O:40][H:82])([H:83])[H:84])[H:103])=[O:42])[H:102])([C:45]([O:46][H:85])([H:86])[H:87])[H:101])=[O:48].[H][O:59][H:117]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C@:4]([N:5]([H:63])[H:64])([C:6](=[O:7])[N:8]1[C:9]([H:65])([H:66])[C:10]([H:67])([H:68])[C:11]([H:69])([H:70])[C@:12]1([C:13](=[O:14])[N:15]1[C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@:19]1([C:20](=[O:21])[N:22]([C:23]([C:24](=[O:25])[N:26]([C@@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:77])([H:78])[H:79])([H:80])[H:81])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([C:38](=[O:39])[O:40][H:82])([H:83])[H:84])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([O:46][H:85])([H:86])[H:87])([C:47](=[O:48])[O:59][H:117])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])([H:115])[H:116]
Derived Operators
EVODEX.1-F266 - Elemental Balance
| O | -2 |
| C | -6 |
| N | -2 |
| H | -14 |
EVODEX.1-M139 - Mass Difference
-146.10562000000002
EVODEX.1-E1007 - Reaction Operator E
[#7](-[#6@@](-[#6](-[#6](-[#6](-[#6](-[#7](-[#6:8](=[#8:9])-[#6:10])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[H])-[H])(-[#6](=[#8])-[#8]-[H])-[H])(-[H])-[H].[#8:19](-[H:44])-[H]>>[#6:8](=[#8:9])(-[#6:10])-[#8:19]-[H:44]
EVODEX.1-C1417 - Reaction Operator C
([H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:47].[#6@@:19].[#6@@:12]).[H]-[#8:59]>>([#6:47]-[#8:59].[#6@:12].[#6@:19])
EVODEX.1-N1801 - Reaction Operator N
([H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7](-[H])-[#6:47](-[#6@@:44])=[#8:48].[#6:20]-[#6@@:19](-[H:110])(-[#7:15]-[#6:13]-[#6@@:12](-[H:111])(-[#7:8])-[#6:11])-[#6:18]).[H]-[#8:59]-[H:117]>>([#7:8]-[#6@@:12](-[#6:11])(-[#6:13]-[#7:15]-[#6@@:19](-[#6:18])(-[#6:20])-[H:110])-[H:111].[#6:47](-[#6@@:44])(=[#8:48])-[#8:59]-[H:117])
EVODEX.1-Em2 - Reaction Operator Em
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
EVODEX.1-Nm2 - Reaction Operator Nm
[H]-[#7](-[#6])-[#6:4](-[#6:3])=[#8:5].[H]-[#8:13]>>[#6:3]-[#6:4](=[#8:5])-[#8:13]
Source Full Reactions
EVODEX.1-R5613
[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C@:4]([N:5]([H:63])[H:64])([C:6](=[O:7])[N:8]1[C:9]([H:65])([H:66])[C:10]([H:67])([H:68])[C:11]([H:69])([H:70])[C@:12]1([C:13](=[O:14])[N:15]1[C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@:19]1([C:20](=[O:21])[N:22]([C:23]([C:24](=[O:25])[N:26]([C@@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:77])([H:78])[H:79])([H:80])[H:81])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([C:38](=[O:39])[O:40][H:82])([H:83])[H:84])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([O:46][H:85])([H:86])[H:87])([C:47](=[O:48])[N:49]([C:50]([C:51]([C:52]([C:53]([C@:54]([N:55]([H:88])[H:89])([C:56](=[O:57])[O:58][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][O:59][H:117]>>[C:1]([C:2]([C:3]([H:60])([H:61])[H:62])([C@:4]([N:5]([H:63])[H:64])([C:6](=[O:7])[N:8]1[C:9]([H:65])([H:66])[C:10]([H:67])([H:68])[C:11]([H:69])([H:70])[C@:12]1([C:13](=[O:14])[N:15]1[C:16]([H:71])([H:72])[C:17]([H:73])([H:74])[C:18]([H:75])([H:76])[C@:19]1([C:20](=[O:21])[N:22]([C:23]([C:24](=[O:25])[N:26]([C@@:27]([C:28]([C:29]([C:30](=[O:31])[O:32][H:77])([H:78])[H:79])([H:80])[H:81])([C:33](=[O:34])[N:35]([C@@:36]([C:37]([C:38](=[O:39])[O:40][H:82])([H:83])[H:84])([C:41](=[O:42])[N:43]([C@@:44]([C:45]([O:46][H:85])([H:86])[H:87])([C:47](=[O:48])[O:59][H:117])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])([H:107])[H:108])[H:109])[H:110])[H:111])[H:112])[H:113])([H:114])([H:115])[H:116].[H][N:49]([C:50]([C:51]([C:52]([C:53]([C@:54]([N:55]([H:88])[H:89])([C:56](=[O:57])[O:58][H:90])[H:91])([H:92])[H:93])([H:94])[H:95])([H:96])[H:97])([H:98])[H:99])[H:100]