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

HRID 96300

반응식

HRID 96300 반응식
[CH3:26][O:27][C:28]1([C:34](=[O:35])[OH:36])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]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:34]([C:28]3([O:27][CH3:26])[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]3)=[O:35])[CH2:23][CH2:24]2)[CH2:15][CH2:16]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 117688351-Methoxycyclohexane-1-carboxylic acidHCID 706558824-[2-[4-(1,3-Benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 601976741-Methoxy-cyclohexanecarboxylic acid-trans-N-{4-[2-(4-benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-amide

출처 및 근거

ORD 기록
ord-9af93e6511b149eca317c3eb2cb80319
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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