Dimethylacetamide → [1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-yl]-(4-thiophen-2-yl-pyrimidin-2-yl)-amine

반응식

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

참가 물질

반응물 3

HCID 31374Dimethylacetamide

HCID 141179412-Chloro-4-(thiophen-2-yl)pyrimidine

HCID 392574451-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-ylamine

생성물 1

HCID 68778571[1-(3-Ethoxy-4-methoxy-benzyl)-piperidin-4-yl]-(4-thiophen-2-yl-pyrimidin-2-yl)-amine

출처 및 근거

ORD 기록: ord-724732fad7ce4e4494b7dcfa42c66c8d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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