Isopropanol → 2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide

HRID 287719Notes

Reaction equation

HRID 287719 reaction equation
[CH3:19][O:20][CH2:21][CH2:22][N:23]1[CH2:24][CH2:25][c:26]2[c:27]([cH:30][c:31]([NH2:34])[cH:32][cH:33]2)[CH2:28][CH2:29]1.[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[CH:6]([NH:10][c:11]2[n:12][c:13]([Cl:18])[n:14][cH:15][c:16]2[Cl:17])[CH2:7][CH2:8][CH2:9]1.[CH:50]([OH:51])([CH3:52])[CH3:53].[O:35]=[S:36](=[O:37])([OH:38])[CH2:39][C:40]12[CH2:41][CH2:42][CH:43]([C:44]1([CH3:45])[CH3:46])[CH2:47][C:48]2=[O:49]>>[CH3:1][NH:2][C:3](=[O:4])[CH:5]1[CH:6]([NH:10][c:11]2[n:12][c:13]([NH:34][c:31]3[cH:30][c:27]4[c:26]([cH:33][cH:32]3)[CH2:25][CH2:24][N:23]([CH2:22][CH2:21][O:20][CH3:19])[CH2:29][CH2:28]4)[n:14][cH:15][c:16]2[Cl:17])[CH2:7][CH2:8][CH2:9]1

Participants

5

Reactant 4

HCID 3776IsopropanolHCID 18462Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, (1S)-HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amineHCID 87330266HCID 87330266, compound

Product 1

HCID 668298742-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]-N-methylcyclopentane-1-carboxamide

Sources & evidence

ORD record
ord-257865af2e9f4f7ea41acff2f99728f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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