7-(2,5-Dichloropyrimidin-4-ylamino)-4-(4-isopropylpiperazin-1-yl)-2-methyl-2,3-dihydroisoindol-1-one → 2-(7-{5-Chloro-4-[7-(4-isopropyl-piperazin-1-yl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-ylamino]-pyrimidin-2-ylamino}-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-N,N-dimethyl-acetamide

HRID 175318Notes

Reaction equation

HRID 175318 reaction equation
[Cl:21][c:22]1[n:23][cH:24][c:25]([Cl:49])[c:26]([NH:28][c:29]2[cH:30][cH:31][c:32]([N:40]3[CH2:41][CH2:42][N:43]([CH:46]([CH3:47])[CH3:48])[CH2:44][CH2:45]3)[c:33]3[c:37]2[C:36](=[O:38])[N:35]([CH3:39])[CH2:34]3)[n:27]1.[NH2:1][c:2]1[cH:3][c:4]2[c:5]([cH:17][c:18]1[O:19][CH3:20])[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2>>[NH:1]([c:2]1[cH:3][c:4]2[c:5]([cH:17][c:18]1[O:19][CH3:20])[CH2:6][CH2:7][N:8]([CH2:11][C:12](=[O:13])[N:14]([CH3:15])[CH3:16])[CH2:9][CH2:10]2)[c:22]1[n:23][cH:24][c:25]([Cl:49])[c:26]([NH:28][c:29]2[cH:30][cH:31][c:32]([N:40]3[CH2:41][CH2:42][N:43]([CH:46]([CH3:47])[CH3:48])[CH2:44][CH2:45]3)[c:33]3[c:37]2[C:36](=[O:38])[N:35]([CH3:39])[CH2:34]3)[n:27]1

Participants

3

Reactant 2

HCID 598492227-(2,5-Dichloropyrimidin-4-ylamino)-4-(4-isopropylpiperazin-1-yl)-2-methyl-2,3-dihydroisoindol-1-oneHCID 672635242-(7-amino-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-N,N-dimethylacetamide

Product 1

HCID 668301692-(7-{5-Chloro-4-[7-(4-isopropyl-piperazin-1-yl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-ylamino]-pyrimidin-2-ylamino}-8-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-N,N-dimethyl-acetamide

Sources & evidence

ORD record
ord-4d1ffeb741cb43d99d95aa928d4044d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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