Hydrochloric Acid → 7-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

HRID 89709Notes

Reaction equation

HRID 89709 reaction equation
[CH3:48][O:49][CH2:50][CH2:51][OH:52].[Cl:1][c:2]1[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[c:10]([O:21][CH3:22])[cH:11][c:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:7]1.[ClH:41].[NH2:24][c:25]1[cH:26][c:27]2[c:28]([cH:39][cH:40]1)[N:29]([CH2:37][CH3:38])[C:30](=[O:36])[CH2:31][CH2:32][C:33]2([CH3:34])[CH3:35].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1>>[c:2]1([NH:24][c:25]2[cH:26][c:27]3[c:28]([cH:39][cH:40]2)[N:29]([CH2:37][CH3:38])[C:30](=[O:36])[CH2:31][CH2:32][C:33]3([CH3:34])[CH3:35])[n:3][cH:4][c:5]([Cl:23])[c:6]([NH:8][c:9]2[c:10]([O:21][CH3:22])[cH:11][c:12]([N:15]3[CH2:16][CH2:17][O:18][CH2:19][CH2:20]3)[cH:13][cH:14]2)[n:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 80192-MethoxyethanolHCID 312751,4-DioxaneHCID 672637817-Amino-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-oneHCID 86633851(2,5-Dichloropyrimidin-4-yl)-(2-methoxy-4-morpholin-4-yl-phenyl)-amine

Product 1

HCID 672640807-[5-Chloro-4-(2-methoxy-4-morpholin-4-yl-phenylamino)-pyrimidin-2-ylamino]-1-ethyl-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one

Sources & evidence

ORD record
ord-5da9c3fae595497ea3dc7c04ebd2deca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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