7-morpholino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine → 2-[5-Chloro-2-(7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-N-ethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 574161367-morpholino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-amine

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

생성물 1

HCID 668303032-[5-Chloro-2-(7-morpholin-4-yl-6,7,8,9-tetrahydro-5H-benzocyclohepten-2-ylamino)-pyrimidin-4-ylamino]-N-ethyl-benzamide

출처 및 근거

ORD 기록: ord-df9c4f9dfec7473eb55279dfbc8ce8c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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