3-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amide → 3-[[5-Chloro-2-[[3-(2,2-difluoroethyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

HRID 123884Notes

Reaction equation

HRID 123884 reaction equation
[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:37])[c:24]([NH:26][CH:27]2[CH:28]([C:34](=[O:35])[NH2:36])[CH:29]3[CH:30]=[CH:31][CH:32]2[CH2:33]3)[n:25]1.[F:1][CH:2]([CH2:3][N:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:11][c:12]([NH2:17])[c:13]([O:15][CH3:16])[cH:14]2)[CH2:9][CH2:10]1)[F:18]>>[F:1][CH:2]([CH2:3][N:4]1[CH2:5][CH2:6][c:7]2[c:8]([cH:11][c:12]([NH:17][c:20]3[n:21][cH:22][c:23]([Cl:37])[c:24]([NH:26][CH:27]4[CH:28]([C:34](=[O:35])[NH2:36])[CH:29]5[CH:30]=[CH:31][CH:32]4[CH2:33]5)[n:25]3)[c:13]([O:15][CH3:16])[cH:14]2)[CH2:9][CH2:10]1)[F:18]

Participants

3

Reactant 2

HCID 764469493-(2,5-Dichloro-pyrimidin-4-ylamino)-bicyclo[2.2.1]hept-5-ene-2-carboxylic acid amideHCID 866339233-(2,2-Difluoro-ethyl)-8-methoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-ylamine

Product 1

HCID 871721503-[[5-Chloro-2-[[3-(2,2-difluoroethyl)-7-methoxy-1,2,4,5-tetrahydro-3-benzazepin-8-yl]amino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Sources & evidence

ORD record
ord-d969874345114aa79f4ad7f08d56f6c2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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