Benzoic Acid → Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-benzamide

반응식

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

참가 물질

반응물 3

HCID 243Benzoic Acid

HCID 313Hydrochloric Acid

HCID 706558824-[2-[4-(1,3-Benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 60197890Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-benzamide

출처 및 근거

ORD 기록: ord-883e517c6034486286ab896d4cbf7592
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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