Water → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-methoxy-6-(3-(4-methylpiperazin-1-yl)propoxy)quinazolin-4-yloxy)phenyl)urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:36][CH3:37])[c:28]([O:31][CH2:32][CH2:33][CH2:34][Cl:35])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH3:38][N:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[I-:51].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[OH2:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:36][CH3:37])[c:28]([O:31][CH2:32][CH2:33][CH2:34][N:42]5[CH2:41][CH2:40][N:39]([CH3:38])[CH2:44][CH2:43]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-52c7085978224c0eaad52d1ba05d8b3e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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