Hydrochloric Acid → trans-4-tert-Butyl-N-(4-{2-[4-(2,3-dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide

HRID 294783

반응식

HRID 294783 반응식
[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]1[c:9]([N:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]3)[CH2:17][CH2:18]1)[n:10][cH:11][cH:12]2>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]1[c:9]([N:13]1[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]3[CH2:22][CH2:23][CH:24]([NH:27][C:36]([c:35]4[cH:34][cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:40][cH:39]4)=[O:37])[CH2:25][CH2:26]3)[CH2:17][CH2:18]1)[n:10][cH:11][cH:12]2

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid3회HCID 74034-tert-Butylbenzoic acidHCID 580457044-[2-[4-(2,3-Dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 66653848trans-4-tert-Butyl-N-(4-{2-[4-(2,3-dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide

출처 및 근거

ORD 기록
ord-963c4f04471549efaf61db850bf89b4d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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