Trifluoroacetic acid → 1-{2-Chloro-4-[6-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yloxy]-phenyl}-3-cyclopropylurea
Reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[cH:31][c:32]3[c:33]([n:34][cH:35][n:36][c:37]3[O:38][c:39]3[cH:40][c:41]([Cl:52])[c:42]([NH:45][C:46](=[O:47])[NH:48][CH:49]4[CH2:50][CH2:51]4)[cH:43][cH:44]3)[nH:53]2)[cH:28][cH:29]1.[OH:1][C:2]([C:3]([F:4])([F:5])[F:6])=[O:7].[c:8]1([S:9][CH3:10])[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[OH:23][c:24]1[cH:25][cH:26][c:27](-[c:30]2[cH:31][c:32]3[c:33]([n:34][cH:35][n:36][c:37]3[O:38][c:39]3[cH:40][c:41]([Cl:52])[c:42]([NH:45][C:46](=[O:47])[NH:48][CH:49]4[CH2:50][CH2:51]4)[cH:43][cH:44]3)[nH:53]2)[cH:28][cH:29]1Participants
4
Sources & evidence
- ORD record
- ord-532dd13b62d44af4970499ea794c13ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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