Hydrochloric Acid → 2-{2-[4-({3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}amino)-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethoxy}ethyl benzoate
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[c:16]([CH3:31])[cH:17][c:18]2[n:19][cH:20][n:21][c:22]([O:24][c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[c:23]12.[Cl:32][c:33]1[cH:34][c:35]([NH2:36])[cH:37][cH:38][c:39]1[O:40][CH2:41][c:42]1[cH:43][c:44]([F:48])[cH:45][cH:46][cH:47]1.[Cl:63][CH2:64][Cl:65].[ClH:49].[OH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[n:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][n:15]1[c:16]([CH3:31])[cH:17][c:18]2[n:19][cH:20][n:21][c:22]([NH:36][c:35]3[cH:34][c:33]([Cl:32])[c:39]([O:40][CH2:41][c:42]4[cH:43][c:44]([F:48])[cH:45][cH:46][cH:47]4)[cH:38][cH:37]3)[c:23]12Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-a55e972436ca4791917a7785398ea5f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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