Cyclopropanesulfonamide → N-[17-[8-fluoro-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-carbonyl]-(cyclopropyl)sulfonamide
Reaction equation
[CH:47]1([S:50](=[O:51])(=[O:52])[NH2:53])[CH2:48][CH2:49]1.[Cl:54][c:55]1[c:56]([O:57][CH3:58])[cH:59][cH:60][c:61]2[c:62]1[n:63][c:64](-[c:65]1[s:66][cH:67][c:68]([CH:69]([CH3:70])[CH3:71])[n:72]1)[cH:73][c:74]2[O:75][CH:76]1[CH2:77][CH:78]2[CH:79]([C:80](=[O:81])[N:82]([CH3:83])[CH2:84][CH2:85][CH2:86][CH2:87][CH:88]=[CH:89][CH:90]3[C:91]([C:92]([NH:93][S:94]([CH:95]4[CH2:96][CH2:97]4)(=[O:98])=[O:99])=[O:100])([NH:101][C:102]2=[O:103])[CH2:104]3)[CH2:105]1.[F:1][c:2]1[c:3]([O:45][CH3:46])[cH:4][cH:5][c:6]2[c:7]([O:20][CH:21]3[CH2:22][CH:23]4[C:24](=[O:44])[N:25]([CH3:43])[CH2:26][CH2:27][CH2:28][CH2:29][CH:30]=[CH:31][CH:32]5[CH2:33][C:34]5([C:40](=[O:41])[OH:42])[NH:35][C:36](=[O:39])[CH:37]4[CH2:38]3)[cH:8][c:9](-[c:12]3[s:13][cH:14][c:15]([CH:17]([CH3:18])[CH3:19])[n:16]3)[n:10][c:11]12>>[F:1][c:2]1[c:3]([O:45][CH3:46])[cH:4][cH:5][c:6]2[c:7]([O:20][CH:21]3[CH2:22][CH:23]4[C:24](=[O:44])[N:25]([CH3:43])[CH2:26][CH2:27][CH2:28][CH2:29][CH:30]=[CH:31][CH:32]5[CH2:33][C:34]5([C:40](=[O:41])[NH:53][S:50]([CH:47]5[CH2:48][CH2:49]5)(=[O:51])=[O:52])[NH:35][C:36](=[O:39])[CH:37]4[CH2:38]3)[cH:8][c:9](-[c:12]3[s:13][cH:14][c:15]([CH:17]([CH3:18])[CH3:19])[n:16]3)[n:10][c:11]12Participants
4
Reactant 3
HCID 15765418Cyclopropanesulfonamide
HCID 6687112017-[8-Fluoro-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-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-17efed47d91e4b99bc94ee164a18104a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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