Pyrrolidine → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-ylthio)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]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][Cl:37])[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42]1>>[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]([S:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:33][CH2:34][CH2:35][CH2:36][N:41]5[CH2:40][CH2:39][CH2:38][CH2:42]5)[c:28]([O:31][CH3:32])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
3
Sources & evidence
- ORD record
- ord-f20ea1f52c2f49fb8f6150f47a9306e6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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