Isopropanol → 2-[[5-chloro-2-[(5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide

HRID 1224964Notes

Reaction equation

HRID 1224964 reaction equation
[C:34]12([CH2:35][S:36]([OH:37])(=[O:38])=[O:39])[C:40]([CH3:41])([CH3:42])[CH:43]([CH2:44][CH2:45]1)[CH2:46][C:47]2=[O:48].[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][O:6][c:7]2[c:8]1[cH:9][c:10]([NH2:13])[cH:11][cH:12]2.[CH:49]([OH:50])([CH3:51])[CH3:52].[Cl:14][c:15]1[n:16][cH:17][c:18]([Cl:33])[c:19]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][c:31]2[F:32])[n:20]1>>[CH3:1][N:2]1[CH2:3][CH2:4][CH2:5][O:6][c:7]2[c:8]1[cH:9][c:10]([NH:13][c:15]1[n:16][cH:17][c:18]([Cl:33])[c:19]([NH:21][c:22]3[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][c:31]3[F:32])[n:20]1)[cH:11][cH:12]2

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 672646829-Methyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamineHCID 717421912-(2,5-Dichloropyrimidin-4-ylamino)-3-fluoro-N-methyl-benzamide

Product 1

HCID 668295672-[[5-chloro-2-[(5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl)amino]pyrimidin-4-yl]amino]-3-fluoro-N-methylbenzamide

Sources & evidence

ORD record
ord-d32694be76224814b39e38a25fbe1851
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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