Isopropanol → 2-{5-Chloro-2-[9-(2-pyrrolidin-1-yl-acetyl)-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-3-ylamino]-pyrimidin-4-ylamino}-3-fluoro-n-methyl-benzamide
Reaction equation
[C:41]12([CH2:42][S:43]([OH:44])(=[O:45])=[O:46])[C:47]([CH3:48])([CH3:49])[CH:50]([CH2:51][CH2:52]1)[CH2:53][C:54]2=[O:55].[CH:56]([OH:57])([CH3:58])[CH3:59].[Cl:21][c:22]1[n:23][cH:24][c:25]([Cl:40])[c:26]([NH:28][c:29]2[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][c:38]2[F:39])[n:27]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[N:6]([C:11]([CH2:12][N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)=[O:18])[CH2:7][CH2:8][CH2:9][O:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:19][cH:20]1)[N:6]([C:11]([CH2:12][N:13]1[CH2:14][CH2:15][CH2:16][CH2:17]1)=[O:18])[CH2:7][CH2:8][CH2:9][O:10]2)[c:22]1[n:23][cH:24][c:25]([Cl:40])[c:26]([NH:28][c:29]2[c:30]([C:31](=[O:32])[NH:33][CH3:34])[cH:35][cH:36][cH:37][c:38]2[F:39])[n:27]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-efff67d64d2048afb7c7dd0cb65a5f60
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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