Hydrochloric Acid → N-[2-[[5-chloro-2-[(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide

HRID 121490Notes

Reaction equation

HRID 121490 reaction equation
[CH3:21][C:22]1([CH3:34])[c:23]2[c:24]([cH:29][cH:30][c:31]([NH2:33])[cH:32]2)[NH:25][CH2:26][CH2:27][CH2:28]1.[CH3:42][O:43][CH2:44][CH2:45][OH:46].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][CH:9]2[CH:10]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:7]1.[ClH:35].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[c:2]1([NH:33][c:31]2[cH:30][cH:29][c:24]3[c:23]([cH:32]2)[C:22]([CH3:21])([CH3:34])[CH2:28][CH2:27][CH2:26][NH:25]3)[n:3][cH:4][c:5]([Cl:20])[c:6]([NH:8][CH:9]2[CH:10]([NH:15][S:16](=[O:17])(=[O:18])[CH3:19])[CH2:11][CH2:12][CH2:13][CH2:14]2)[n:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 80192-MethoxyethanolHCID 312751,4-DioxaneHCID 672643035,5-Dimethyl-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-amineHCID 86633859N-[2-(2,5-dichloro-pyrimidin-4-ylamino)-cyclohexyl]-methanesulfonamide

Product 1

HCID 178425496N-[2-[[5-chloro-2-[(5,5-dimethyl-1,2,3,4-tetrahydro-1-benzazepin-7-yl)amino]pyrimidin-4-yl]amino]cyclohexyl]methanesulfonamide

Sources & evidence

ORD record
ord-7867d10b42bc425a939888663b88ef26
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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