8-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one → 3-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

HRID 115618Notes

Reaction equation

HRID 115618 reaction equation
[Cl:18][c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][CH:26]2[CH:27]([C:33](=[O:34])[NH2:35])[CH:28]3[CH:29]=[CH:30][CH:31]2[CH2:32]3)[n:24]1.[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:17]1)[N:7]([CH2:15][CH3:16])[C:8](=[O:14])[CH2:9][CH2:10][C:11]2([CH3:12])[CH3:13])[c:19]1[n:20][cH:21][c:22]([Cl:36])[c:23]([NH:25][CH:26]2[CH:27]([C:33](=[O:34])[NH2:35])[CH:28]3[CH:29]=[CH:30][CH:31]2[CH2:32]3)[n:24]1

Participants

3

Reactant 2

HCID 672640658-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 764469493-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide

Product 1

HCID 1784629433-[[5-chloro-2-[(1-ethyl-5,5-dimethyl-2-oxo-3,4-dihydro-1-benzazepin-8-yl)amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Sources & evidence

ORD record
ord-919e22a5fcc041639100ecc975a9ca05
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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