EVODEX.1-E1251

SMIRKS

[#6:4]-[#6:5](=[#8:6])-[#7](-[#6](-[#6](-[#16](=[#8])(=[#8])-[#8]-[H])(-[H])-[H])(-[H])-[H])-[H].[#8:35](-[H:81])-[H]>>[#6:4]-[#6:5](=[#8:6])-[#8:35]-[H:81]

Source Partial Reactions

EVODEX.1-P5610

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@:2]([C:1]([H:76])([H:77])[H:78])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19](=[O:20])[C:21]([H:53])([H:54])[C@:22]4([H:55])[C:23]([H:56])([H:57])[C@@:24]([O:25][H:58])([H:59])[C:26]([H:60])([H:61])[C:27]([H:62])([H:63])[C@:28]4([C:29]([H:64])([H:65])[H:66])[C@@:30]3([H:67])[C:31]([H:68])([H:69])[C:32]([H:70])([H:71])[C@:33]12[C:34]([H:72])([H:73])[H:74])[H:75])([H:44])[H:45])([H:42])[H:43])=[O:6].[H][O:35][H:79]>>[C:1]([C@@:2]([C:3]([C:4]([C:5](=[O:6])[O:35][H:79])([H:42])[H:43])([H:44])[H:45])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19](=[O:20])[C:21]([H:53])([H:54])[C@:22]4([H:55])[C:23]([H:56])([H:57])[C@@:24]([O:25][H:58])([H:59])[C:26]([H:60])([H:61])[C:27]([H:62])([H:63])[C@:28]4([C:29]([H:64])([H:65])[H:66])[C@@:30]3([H:67])[C:31]([H:68])([H:69])[C:32]([H:70])([H:71])[C@:33]12[C:34]([H:72])([H:73])[H:74])[H:75])([H:76])([H:77])[H:78]

EVODEX.1-P5611

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[C@:21]4([H:57])[C:22]([H:58])([H:59])[C:23](=[O:24])[C:25]([H:60])([H:61])[C:26]([H:62])([H:63])[C@:27]4([C:28]([H:64])([H:65])[H:66])[C@@:29]3([H:67])[C:30]([H:68])([H:69])[C:31](=[O:32])[C@:33]12[C:34]([H:70])([H:71])[H:72])[H:73])([H:44])[H:45])([H:42])[H:43])=[O:6].[H][O:35][H:77]>>[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:35][H:77])([H:42])[H:43])([H:44])[H:45])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19]([H:53])([H:54])[C:20]([H:55])([H:56])[C@:21]4([H:57])[C:22]([H:58])([H:59])[C:23](=[O:24])[C:25]([H:60])([H:61])[C:26]([H:62])([H:63])[C@:27]4([C:28]([H:64])([H:65])[H:66])[C@@:29]3([H:67])[C:30]([H:68])([H:69])[C:31](=[O:32])[C@:33]12[C:34]([H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76]

EVODEX.1-P5607

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:29]([C:2]([C:1]([H:87])([H:88])[H:89])([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])[H:86])=[O:30].[H][O:38][H:90]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C@:6]([C:7]([H:39])([H:40])[H:41])([C@@:8]1([H:42])[C:9]([H:43])([H:44])[C:10]([H:45])([H:46])[C@@:11]2([H:47])[C@:12]3([H:48])[C@@:13]([O:14][H:49])([H:50])[C:15]([H:51])([H:52])[C@:16]4([H:53])[C:17]([H:54])([H:55])[C@@:18]([O:19][H:56])([H:57])[C:20]([H:58])([H:59])[C:21]([H:60])([H:61])[C@:22]4([C:23]([H:62])([H:63])[H:64])[C@@:24]3([H:65])[C:25]([H:66])([H:67])[C:26]([H:68])([H:69])[C@:27]12[C:28]([H:70])([H:71])[H:72])[H:73])([H:74])[H:75])([H:76])[H:77])([H:78])[H:79])([C:29](=[O:30])[O:38][H:90])[H:86])([H:87])([H:88])[H:89]

EVODEX.1-P5609

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:5]([C:4]([C:3]([C@@:2]([C:1]([H:74])([H:75])[H:76])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19](=[O:20])[C:21]([H:53])([H:54])[C@:22]4([H:55])[C:23]([H:56])([H:57])[C:24](=[O:25])[C:26]([H:58])([H:59])[C:27]([H:60])([H:61])[C@:28]4([C:29]([H:62])([H:63])[H:64])[C@@:30]3([H:65])[C:31]([H:66])([H:67])[C:32]([H:68])([H:69])[C@:33]12[C:34]([H:70])([H:71])[H:72])[H:73])([H:44])[H:45])([H:42])[H:43])=[O:6].[H][O:35][H:77]>>[C:1]([C@:2]([C:3]([C:4]([C:5](=[O:6])[O:35][H:77])([H:42])[H:43])([H:44])[H:45])([C@@:14]1([H:46])[C:15]([H:47])([H:48])[C:16]([H:49])([H:50])[C@@:17]2([H:51])[C@:18]3([H:52])[C:19](=[O:20])[C:21]([H:53])([H:54])[C@:22]4([H:55])[C:23]([H:56])([H:57])[C:24](=[O:25])[C:26]([H:58])([H:59])[C:27]([H:60])([H:61])[C@:28]4([C:29]([H:62])([H:63])[H:64])[C@@:30]3([H:65])[C:31]([H:66])([H:67])[C:32]([H:68])([H:69])[C@:33]12[C:34]([H:70])([H:71])[H:72])[H:73])([H:74])([H:75])[H:76]

EVODEX.1-P5688

[H]OS(=O)(=O)C([H])([H])C([H])([H])N([H])[C:18]([C:17]([C:16]([C:15]([C:14]([C:13]([C:12]([C:11]([C:10](=[C:9]([C:8]([C:7]([C:6]([C:5]([C:4]([C:3]([C:2]([C:1]([H:64])([H:65])[H:66])([H:62])[H:63])([H:60])[H:61])([H:58])[H:59])([H:56])[H:57])([H:54])[H:55])([H:52])[H:53])([H:50])[H:51])[H:49])[H:48])([H:46])[H:47])([H:44])[H:45])([H:42])[H:43])([H:40])[H:41])([H:38])[H:39])([H:36])[H:37])([H:34])[H:35])=[O:19].[H][O:27][H:67]>>[C:1]([C:2]([C:3]([C:4]([C:5]([C:6]([C:7]([C:8]([C:9](=[C:10]([C:11]([C:12]([C:13]([C:14]([C:15]([C:16]([C:17]([C:18](=[O:19])[O:27][H:67])([H:34])[H:35])([H:36])[H:37])([H:38])[H:39])([H:40])[H:41])([H:42])[H:43])([H:44])[H:45])([H:46])[H:47])[H:48])[H:49])([H:50])[H:51])([H:52])[H:53])([H:54])[H:55])([H:56])[H:57])([H:58])[H:59])([H:60])[H:61])([H:62])[H:63])([H:64])([H:65])[H:66]