3-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amine → 5-Chloro-N(4)-[2-fluoro-6-(tetrahydro-pyran-4-yloxy)-phenyl]-N(2)-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-pyrimidine-2,4-diamine

반응식

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

참가 물질

반응물 2

HCID 574160893-(2-Methoxyethyl)-2,3,4,5-tetrahydro-1h-3-benzazepin-7-amine

HCID 86634000(2,5-Dichloro-pyrimidin-4-yl)-[2-fluoro-6-(tetrahydro-pyran-4-yloxy)-phenyl]-amine

생성물 1

HCID 668304245-Chloro-N(4)-[2-fluoro-6-(tetrahydro-pyran-4-yloxy)-phenyl]-N(2)-[3-(2-methoxy-ethyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-pyrimidine-2,4-diamine

출처 및 근거

ORD 기록: ord-821a049937f547509b5e1b7489dfe384
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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