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

반응식

[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][CH2:25][CH2:26][CH2:27][O:28][c:29]1[c:30]([NH:36][c:37]2[n:38][c:39]([Cl:44])[n:40][cH:41][c:42]2[Cl:43])[c:31]([F:35])[cH:32][cH:33][cH:34]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]([NH2:16])[cH:14][cH:15]2)[CH2:10][CH2:11]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:39]3[n:38][c:37]([NH:36][c:30]4[c:29]([O:28][CH2:27][CH2:26][CH2:25][O:24][CH2:17][c:18]5[cH:19][cH:20][cH:21][cH:22][cH:23]5)[cH:34][cH:33][cH:32][c:31]4[F:35])[c:42]([Cl:43])[cH:41][n:40]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 86634001[2-(3-Benzyloxy-propoxy)-6-fluoro-phenyl]-(2,5-dichloro-pyrimidin-4-yl)-amine

생성물 1

HCID 66830446N(4)-[2-(3-Benzyloxy-propoxy)-6-fluoro-phenyl]-5-chloro-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-ee1725a43b814b7cba5559d2899049c9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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