SMIRKS
[H]OC(=O)[C@@]([H])(N([H])C(=O)[C@@]([H])(N([H])C(=O)[C@@]1([H])N([C:14](=[O:15])[C@:16]([C:17]([C:18]2:[C:19]([H:75]):[C:20]([H:76]):[C:21]([O:22][H:77]):[C:23]([H:78]):[C:24]:2[H:79])([H:80])[H:81])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:82])[H:83])=[O:32])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]2:[C:39]([H:86]):[N:40]([H:87]):[C:41]3:[C:42]([H:88]):[C:43]([H:89]):[C:44]([H:90]):[C:45]([H:91]):[C:46]:2:3)([H:92])[H:93])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:94])[H:95])([C:52]([O:53][H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])C([H])([H])C([H])([H])C1([H])[H])[C@@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[H])C([H])(C([H])([H])[H])C([H])([H])[H].[H][O:64][H:124]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:75]):[C:20]([H:76]):[C:21]([O:22][H:77]):[C:23]([H:78]):[C:24]:1[H:79])([H:80])[H:81])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:82])[H:83])=[O:32])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]1:[C:39]([H:86]):[N:40]([H:87]):[C:41]2:[C:42]([H:88]):[C:43]([H:89]):[C:44]([H:90]):[C:45]([H:91]):[C:46]:1:2)([H:92])[H:93])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:94])[H:95])([C:52]([O:53][H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[O:64][H:124]
Derived Operators
EVODEX.1-F534 - Elemental Balance
| O | -4 |
| C | -16 |
| N | -3 |
| H | -29 |
EVODEX.1-M506 - Mass Difference
-327.21597
EVODEX.1-E1353 - Reaction Operator E
[#6](-[#6](-[#6@](-[#6](-[H])(-[H])-[H])(-[#6@](-[#7](-[#6](=[#8])-[#6@]1(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#7]-1-[#6:14](=[#8:15])-[#6@:16])-[H])(-[#6](=[#8])-[#7](-[#6@](-[#6](=[#8])-[#8]-[H])(-[#6](-[#6](-[H])(-[H])-[H])(-[#6](-[H])(-[H])-[H])-[H])-[H])-[H])-[H])-[H])(-[H])-[H])(-[H])(-[H])-[H].[#8:55](-[H:113])-[H]>>[#6:14](=[#8:15])(-[#6@:16])-[#8:55]-[H:113]
EVODEX.1-C665 - Reaction Operator C
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]>>[#6:14]-[#8:54]
EVODEX.1-N822 - Reaction Operator N
[H]-[#8]-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@](-[H])(-[#7](-[H])-[#6](=[#8])-[#6@@]1(-[H])-[#7](-[#6:14](=[#8:15])-[#6@@:16])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#6]-1(-[H])-[H])-[#6@@](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[H].[H]-[#8:54]-[H:117]>>[#6:14](=[#8:15])(-[#6@@:16])-[#8:54]-[H:117]
EVODEX.1-Em52 - Reaction Operator Em
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
EVODEX.1-Nm59 - Reaction Operator Nm
[#6]-[#7](-[#6:55](-[#6:48])=[#8:56])-[#6].[H]-[#8:65]>>[#6:48]-[#6:55](=[#8:56])-[#8:65]
Source Full Reactions
EVODEX.1-R6065
[C:1]([C:2]([C@:3]([C:4]([H:65])([H:66])[H:67])([C@:5]([N:6]([C:7](=[O:8])[C@:9]1([H:68])[C:10]([H:69])([H:70])[C:11]([H:71])([H:72])[C:12]([H:73])([H:74])[N:13]1[C:14](=[O:15])[C@:16]([C:17]([C:18]1:[C:19]([H:75]):[C:20]([H:76]):[C:21]([O:22][H:77]):[C:23]([H:78]):[C:24]:1[H:79])([H:80])[H:81])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:82])[H:83])=[O:32])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]1:[C:39]([H:86]):[N:40]([H:87]):[C:41]2:[C:42]([H:88]):[C:43]([H:89]):[C:44]([H:90]):[C:45]([H:91]):[C:46]:1:2)([H:92])[H:93])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:94])[H:95])([C:52]([O:53][H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[H:106])([C:54](=[O:55])[N:56]([C@:57]([C:58](=[O:59])[O:60][H:107])([C:61]([C:62]([H:108])([H:109])[H:110])([C:63]([H:111])([H:112])[H:113])[H:114])[H:115])[H:116])[H:117])[H:118])([H:119])[H:120])([H:121])([H:122])[H:123].[H][O:64][H:124]>>[C:14](=[O:15])([C@:16]([C:17]([C:18]1:[C:19]([H:75]):[C:20]([H:76]):[C:21]([O:22][H:77]):[C:23]([H:78]):[C:24]:1[H:79])([H:80])[H:81])([N:25]([C:26](=[O:27])[C@:28]([C:29]([C:30]([N:31]([H:82])[H:83])=[O:32])([H:84])[H:85])([N:33]([C:34](=[O:35])[C@:36]([C:37]([C:38]1:[C:39]([H:86]):[N:40]([H:87]):[C:41]2:[C:42]([H:88]):[C:43]([H:89]):[C:44]([H:90]):[C:45]([H:91]):[C:46]:1:2)([H:92])[H:93])([N:47]([C:48](=[O:49])[C@@:50]([N:51]([H:94])[H:95])([C:52]([O:53][H:96])([H:97])[H:98])[H:99])[H:100])[H:101])[H:102])[H:103])[H:104])[H:105])[O:64][H:124].[H][N:13]1[C@@:9]([C:7]([N:6]([C@@:5]([C@:3]([C:2]([C:1]([H:121])([H:122])[H:123])([H:119])[H:120])([C:4]([H:65])([H:66])[H:67])[H:118])([C:54](=[O:55])[N:56]([C@:57]([C:58](=[O:59])[O:60][H:107])([C:61]([C:62]([H:108])([H:109])[H:110])([C:63]([H:111])([H:112])[H:113])[H:114])[H:115])[H:116])[H:117])[H:106])=[O:8])([H:68])[C:10]([H:69])([H:70])[C:11]([H:71])([H:72])[C:12]1([H:73])[H:74]