Hydrochloric Acid → 2-[5-Chloro-2-(7-oxo-6,7,8,9-tetrahydro-5H-benzocyclo-hepten-2-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

HRID 1547942Notes

Reaction equation

HRID 1547942 reaction equation
[CH:33]([OH:34])([CH3:35])[CH3:36].[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][cH:23][c:24]2[c:25]([cH:32]1)[CH2:26][CH2:27][C:28](=[O:31])[CH2:29][CH2:30]2>>[c:2]1([NH:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:32]2)[CH2:26][CH2:27][C:28](=[O:31])[CH2:29][CH2:30]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

5

Reactant 4

HCID 313Hydrochloric AcidHCID 3776IsopropanolHCID 450982242-Amino-8,9-dihydro-5H-benzo[7]annulen-7(6H)-oneHCID 579741322-(2,5-Dichloropyrimidin-4-ylamino)-N-methylbenzamide

Product 1

HCID 251573272-[5-Chloro-2-(7-oxo-6,7,8,9-tetrahydro-5H-benzocyclo-hepten-2-ylamino)-pyrimidin-4-ylamino]-N-methyl-benzamide

Sources & evidence

ORD record
ord-3769972298614693bb97a3f9617c07ab
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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