Cyclopropanesulfonamide → N-[17-[8-ethyl-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclo-propyl)sulfonamide
Reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([O:46][CH3:47])[cH:5][cH:6][c:7]2[c:8]([O:21][CH:22]3[CH2:23][CH:24]4[C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[CH2:34][C:35]5([C:41](=[O:42])[OH:43])[NH:36][C:37](=[O:40])[CH:38]4[CH2:39]3)[cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[n:17]3)[n:11][c:12]12.[CH:48]1([S:51](=[O:52])(=[O:53])[NH2:54])[CH2:49][CH2:50]1.[Cl:55][c:56]1[c:57]([O:58][CH3:59])[cH:60][cH:61][c:62]2[c:63]1[n:64][c:65](-[c:66]1[s:67][cH:68][c:69]([CH:70]([CH3:71])[CH3:72])[n:73]1)[cH:74][c:75]2[O:76][CH:77]1[CH2:78][CH:79]2[CH:80]([C:81](=[O:82])[N:83]([CH3:84])[CH2:85][CH2:86][CH2:87][CH2:88][CH:89]=[CH:90][CH:91]3[C:92]([C:93]([NH:94][S:95]([CH:96]4[CH2:97][CH2:98]4)(=[O:99])=[O:100])=[O:101])([NH:102][C:103]2=[O:104])[CH2:105]3)[CH2:106]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:46][CH3:47])[cH:5][cH:6][c:7]2[c:8]([O:21][CH:22]3[CH2:23][CH:24]4[C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[CH2:34][C:35]5([C:41](=[O:43])[NH:54][S:51]([CH:48]5[CH2:49][CH2:50]5)(=[O:52])=[O:53])[NH:36][C:37](=[O:40])[CH:38]4[CH2:39]3)[cH:9][c:10](-[c:13]3[s:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[n:17]3)[n:11][c:12]12Participants
4
Reactant 3
HCID 15765418Cyclopropanesulfonamide
HCID 6687115517-[8-Ethyl-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yl-oxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid
HCID 66903073N-[17-[8-chloro-2-(4-isopropylthiazole-2-yl)-7-methoxyquinolin-4-yloxy]-13-methyl-2,14-dioxo-3,13-diazatricyclo[13.3.0.04,6]-octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamideProduct 1
Sources & evidence
- ORD record
- ord-66b9071dc55c499399cd0ab03edc6de7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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