1-Methylcyclopropane-1-sulfonamide → N-[17-[8-chloro-2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl]-(1-methylcyclopropyl)sulfonamide
Reaction equation
[CH3:46][C:47]1([S:50](=[O:51])(=[O:52])[NH2:53])[CH2:48][CH2:49]1.[CH:54]([c:55]1[n:56][c:57](-[c:58]2[cH:59][c:60]([O:61][CH:62]3[CH2:63][CH:64]4[N:65]([C:66](=[O:67])[CH2:68][CH2:69][CH2:70][CH2:71][CH2:72][CH2:73][CH:74]=[CH:75][CH:76]5[C:77]([C:78]([NH:79][S:80]([CH:81]6[CH2:82][CH2:83]6)(=[O:84])=[O:85])=[O:86])([NH:87][C:88]4=[O:89])[CH2:90]5)[CH2:91]3)[c:92]3[c:93]([cH:94][c:95]([O:96][CH3:97])[cH:98][cH:99]3)[n:100]2)[s:101][cH:102]1)([CH3:103])[CH3:104].[Cl:1][c:2]1[c:3]([O:44][CH3:45])[cH:4][cH:5][c:6]2[c:7]([O:20][CH:21]3[CH2:22][N:23]4[C:24](=[O:43])[CH2:25][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>>[Cl:1][c:2]1[c:3]([O:44][CH3:45])[cH:4][cH:5][c:6]2[c:7]([O:20][CH:21]3[CH2:22][N:23]4[C:24](=[O:43])[CH2:25][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]([C:47]5([CH3:46])[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 218898141-Methylcyclopropane-1-sulfonamide
HCID 67318810N-[[18-[2-[4-(isopropyl)thiazol-2-yl]-7-methoxyquinolin-4-yloxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-en-4-yl]carbonyl](cyclopropyl)sulfonamide
HCID 6731937617-[8-Chloro-2-(4-isopropylthiazol-2-yl)-7-methoxyquinolin-4-yloxy]-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-7fc0cc0a799749cab2ddbeb7ce96b324
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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