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

HRID 206335Notes

Reaction equation

HRID 206335 reaction equation
[C:33]12([CH2:34][S:35]([OH:36])(=[O:37])=[O:38])[C:39]([CH3:40])([CH3:41])[CH:42]([CH2:43][CH2:44]1)[CH2:45][C:46]2=[O:47].[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:48]([OH:49])([CH3:50])[CH3:51].[Cl:14][c:15]1[n:16][cH:17][c:18]([Cl:32])[c:19]([NH:21][c:22]2[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]2)[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:32])[c:19]([NH:21][c:22]3[c:23]([C:24](=[O:25])[NH:26][CH3:27])[cH:28][cH:29][cH:30][cH:31]3)[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 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 672646829-Methyl-6,7,8,9-tetrahydro-5-oxa-9-aza-benzocyclohepten-2-ylamine

Product 1

HCID 668295622-[[5-chloro-2-[(5-methyl-3,4-dihydro-2H-1,5-benzoxazepin-7-yl)amino]pyrimidin-4-yl]amino]-N-methylbenzamide

Sources & evidence

ORD record
ord-e103cc4598994c9bafe4c3811b99e20c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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