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

HRID 118469Notes

Reaction equation

HRID 118469 reaction equation
[CH3:20][O:21][CH2:22][CH2:23][N:24]1[CH2:25][CH2:26][c:27]2[c:28]([cH:31][c:32]([NH2:35])[cH:33][cH:34]2)[CH2:29][CH2:30]1.[CH:51]([OH:52])([CH3:53])[CH3:54].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][CH:9]2[CH:10]([NH:14][S:15](=[O:16])(=[O:17])[CH3:18])[CH2:11][CH2:12][CH2:13]2)[n:7]1.[O:36]=[S:37](=[O:38])([OH:39])[CH2:40][C:41]12[CH2:42][CH2:43][CH:44]([C:45]1([CH3:46])[CH3:47])[CH2:48][C:49]2=[O:50]>>[c:2]1([NH:35][c:32]2[cH:31][c:28]3[c:27]([cH:34][cH:33]2)[CH2:26][CH2:25][N:24]([CH2:23][CH2:22][O:21][CH3:20])[CH2:30][CH2:29]3)[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][CH:9]2[CH:10]([NH:14][S:15](=[O:16])(=[O:17])[CH3:18])[CH2:11][CH2:12][CH2:13]2)[n:7]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 87330140N-[2-[(2,5-dichloropyrimidin-4-yl)amino]cyclopentyl]methanesulfonamide

Product 1

HCID 66830299N-[2-[[5-chloro-2-[[3-(2-methoxyethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]amino]pyrimidin-4-yl]amino]cyclopentyl]methanesulfonamide

Sources & evidence

ORD record
ord-cb5222b62a25433a9321eeaaa51cbeac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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