Hydrochloric Acid → 2-[5-Chloro-2-(1-ethyl-8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

HRID 1213979Notes

Reaction equation

HRID 1213979 reaction equation
[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:38][O:39][CH2:40][CH2:41][OH:42].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1.[ClH:37].[NH2:20][c:21]1[cH:22][c:23]2[c:24]([cH:33][c:34]1[O:35][CH3:36])[N:25]([CH2:31][CH3:32])[C:26](=[O:30])[CH2:27][CH2:28][CH2:29]2>>[c:2]1([NH:20][c:21]2[cH:22][c:23]3[c:24]([cH:33][c:34]2[O:35][CH3:36])[N:25]([CH2:31][CH3:32])[C:26](=[O:30])[CH2:27][CH2:28][CH2:29]3)[n:3][cH:4][c:5]([Cl:19])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][cH:18]2)[n:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 80192-MethoxyethanolHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamideHCID 672644367-Amino-1-ethyl-8-methoxy-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Product 1

HCID 251573262-[5-Chloro-2-(1-ethyl-8-methoxy-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-d77c25c3435e472aaa46652635fe9c31
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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