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

HRID 167631

반응식

HRID 167631 반응식
[C:26](#[N:27])[c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[OH:34])[cH:35][cH:36]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:32]([c:31]3[cH:30][cH:29][c:28]([C:26]#[N:27])[cH:36][cH:35]3)=[O:33])[CH2:23][CH2:24]2)[CH2:15][CH2:16]1

참가 물질

4

반응물 3

HCID 313Hydrochloric AcidHCID 120874-Cyanobenzoic acidHCID 706558824-[2-[4-(1,3-Benzodioxol-4-yl)piperidin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 60196866Trans-N-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-4-cyano-benzamide

출처 및 근거

ORD 기록
ord-eefabb304855400eb9d7d7bb6f454924
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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