2-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-benzamide → 2-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-N-ethyl-benzamide

反応式

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

参加物

反応物 2

HCID 587485472-(2,5-Dichloro-pyrimidin-4-ylamino)-N-ethyl-benzamide

HCID 672643345,5-Dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamine

生成物 1

HCID 251570292-[5-Chloro-2-(5,5-dimethyl-2,3,4,5-tetrahydro-benzo[b]oxepin-9-ylamino)-pyrimidin-4-ylamino]-N-ethyl-benzamide

出典と根拠

ORDレコード: ord-088e53ef6cc94f938b60d24b28b9a0d2
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…