Water → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-methoxy-6-(3-morpholinopropoxy)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.[CH2:38]1[CH2:39][O:40][CH2:41][CH2:42][NH:43]1.[CH2:54]([N+:55]([CH2:56][CH2:57][CH2:58][CH3:59])([CH2:60][CH2:61][CH2:62][CH3:63])[CH2:64][CH2:65][CH2:66][CH3:67])[CH2:68][CH2:69][CH3:70].[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[I-:53].[OH2:71]>>[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:43]5[CH2:38][CH2:39][O:40][CH2:41][CH2:42]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-8ffb526de52a4a80867dd24366d2cd41
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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