2-(7-amino-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-N,N-dimethylacetamide → 2-{7-[5-Chloro-4-(3-{[ethyl-(2-hydroxy-ethyl)-amino]-methyl}-4-fluoro-phenylamino)-pyrimidin-2-ylamino]-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl}-N,N-dimethyl-acetamide

HRID 1550125Notes

Reaction equation

HRID 1550125 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:22])[c:13]([CH2:14][N:15]([CH2:16][CH2:17][OH:18])[CH2:19][CH3:20])[cH:21]2)[n:7]1.[NH2:24][c:25]1[cH:26][c:27]2[c:28]([cH:40][c:41]1[O:42][CH3:43])[CH2:29][CH2:30][N:31]([CH2:34][C:35](=[O:36])[N:37]([CH3:38])[CH3:39])[CH2:32][CH2:33]2>>[c:2]1([NH:24][c:25]2[cH:26][c:27]3[c:28]([cH:40][c:41]2[O:42][CH3:43])[CH2:29][CH2:30][N:31]([CH2:34][C:35](=[O:36])[N:37]([CH3:38])[CH3:39])[CH2:32][CH2:33]3)[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[cH:10][cH:11][c:12]([F:22])[c:13]([CH2:14][N:15]([CH2:16][CH2:17][OH:18])[CH2:19][CH3:20])[cH:21]2)[n:7]1

Participants

3

Reactant 2

HCID 672635242-(7-amino-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-N,N-dimethylacetamideHCID 866339122-{[5-(2,5-Dichloro-pyrimidin-4-ylamino)-2-fluoro-benzyl]-ethyl-amino]-ethanol

Product 1

HCID 668306982-{7-[5-Chloro-4-(3-{[ethyl-(2-hydroxy-ethyl)-amino]-methyl}-4-fluoro-phenylamino)-pyrimidin-2-ylamino]-8-methoxy-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl}-N,N-dimethyl-acetamide

Sources & evidence

ORD record
ord-2a05056f1d7a48aba72ddcb140eae8ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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