N-[[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 → N-[18-[2-(thiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carbonyl]-(cyclopropyl)sulfonamide
Reaction equation
[CH:44]([c:45]1[n:46][c:47](-[c:48]2[cH:49][c:50]([O:51][CH:52]3[CH2:53][CH:54]4[N:55]([C:56](=[O:57])[CH2:58][CH2:59][CH2:60][CH2:61][CH2:62][CH2:63][CH:64]=[CH:65][CH:66]5[C:67]([C:68](=[O:69])[NH:85][S:86](=[O:87])(=[O:88])[CH:89]6[CH2:90][CH2:91]6)([NH:70][C:71]4=[O:72])[CH2:73]5)[CH2:74]3)[c:75]3[c:76]([cH:77][c:78]([O:79][CH3:80])[cH:81][cH:82]3)[n:83]2)[s:84][cH:92]1)([CH3:93])[CH3:94].[s:1]1[c:2](-[c:6]2[n:7][c:8]3[c:9]([CH3:43])[c:10]([O:41][CH3:42])[cH:11][cH:12][c:13]3[c:14]([O:16][CH:17]3[CH2:18][N:19]4[C:20](=[O:40])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH:27]=[CH:28][CH:29]5[CH2:30][C:31]5([C:37](=[O:38])[OH:39])[NH:32][C:33](=[O:36])[CH:34]4[CH2:35]3)[cH:15]2)[n:3][cH:4][cH:5]1>>[s:1]1[c:2](-[c:6]2[n:7][c:8]3[c:9]([CH3:43])[c:10]([O:41][CH3:42])[cH:11][cH:12][c:13]3[c:14]([O:16][CH:17]3[CH2:18][N:19]4[C:20](=[O:40])[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH:27]=[CH:28][CH:29]5[CH2:30][C:31]5([C:37](=[O:39])[NH:85][S:86](=[O:87])(=[O:88])[CH:89]5[CH2:90][CH2:91]5)[NH:32][C:33](=[O:36])[CH:34]4[CH2:35]3)[cH:15]2)[n:3][cH:4][cH:5]1Participants
3
Reactant 2
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 6731979818-[2-(Thiazol-2-yl)-7-methoxy-8-methylquinolin-4-yloxy]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylic acidProduct 1
Sources & evidence
- ORD record
- ord-a1f79f0958ec468480a8c0a9f3f21354
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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