Hydrochloric Acid → 3-Chloro-cyclobutanecarboxylic acid trans-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide

반응식

[Cl:26][CH:27]1[CH2:28][CH:29]([C:31](=[O:32])[OH:33])[CH2:30]1.[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>>[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:31]([CH:29]3[CH2:28][CH:27]([Cl:26])[CH2:30]3)=[O:32])[CH2:23][CH2:24]2)[CH2:15][CH2:16]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 138154143-Chlorocyclobutane-1-carboxylic acid

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

생성물 1

HCID 601970713-Chloro-cyclobutanecarboxylic acid trans-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide

출처 및 근거

ORD 기록: ord-4daa446486eb4512b1bb066908680f43
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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