1-Butanol → N-(5-{7-Methoxy-6-[3-(4-methyl-piperazin-1-yl)-propoxy]-quinazolin-4-ylamino}-benzothiazol-2-yl)-benzamide
Reaction equation
[CH2:51]([OH:52])[CH2:53][CH2:54][CH3:55].[Cl:20][c:21]1[n:22][cH:23][n:24][c:25]2[cH:26][c:27]([O:42][CH3:43])[c:28]([O:31][CH2:32][CH2:33][CH2:34][N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:29][c:30]12.[ClH:44].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)=[O:18])[s:9]2)[cH:19]1.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([n:7][c:8]([NH:10][C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)=[O:18])[s:9]2)[cH:19]1)[c:21]1[n:22][cH:23][n:24][c:25]2[cH:26][c:27]([O:42][CH3:43])[c:28]([O:31][CH2:32][CH2:33][CH2:34][N:35]3[CH2:36][CH2:37][N:38]([CH3:41])[CH2:39][CH2:40]3)[cH:29][c:30]12Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-ec9b32d253174f968f40e87f6dbd8a92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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