7-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-one → 2-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-N-prop-2-ynyl-benzamide

HRID 138778Notes

Reaction equation

HRID 138778 reaction equation
[Cl:15][c:16]1[n:17][cH:18][c:19]([Cl:36])[c:20]([NH:22][c:23]2[c:24]([C:25](=[O:26])[N:27]([CH2:28][C:29]#[CH:30])[CH3:31])[cH:32][cH:33][cH:34][cH:35]2)[n:21]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:14]1)[CH2:7][CH2:8][CH2:9][C:10](=[O:13])[N:11]2[CH3:12])[c:16]1[n:17][cH:18][c:19]([Cl:36])[c:20]([NH:22][c:23]2[c:24]([C:25](=[O:26])[N:27]([CH2:28][C:29]#[CH:30])[CH3:31])[cH:32][cH:33][cH:34][cH:35]2)[n:21]1

Participants

3

Reactant 2

HCID 197602587-Amino-1-methyl-1,3,4,5-tetrahydro-benzo[B]azepin-2-oneHCID 866340272-(2,5-dichloro-pyrimidin-4-ylamino)-N-methyl-N-prop-2-ynyl-benzamide

Product 1

HCID 533175252-[5-Chloro-2-(1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-7-ylamino)-pyrimidin-4-ylamino]-N-methyl-N-prop-2-ynyl-benzamide

Sources & evidence

ORD record
ord-92e9c03c80664b9ebea200dd7e357f80
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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