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

HRID 307347

반응식

HRID 307347 반응식
[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.[n:28]1(-[c:33]2[cH:34][cH:35][c:36]([C:37](=[O:38])[OH:39])[cH:40][cH:41]2)[cH:29][cH:30][cH:31][cH:32]1>>[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:37]([c:36]4[cH:35][cH:34][c:33](-[n:28]5[cH:29][cH:30][cH:31][cH:32]5)[cH:41][cH:40]4)=[O:38])[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 27372564-(1H-Pyrrol-1-yl)benzoic acidHCID 580457044-[2-[4-(2,3-Dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 56591821trans-N-(4-{2-[4-(2,3-Dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-4-pyrrol-1-yl-benzamide

출처 및 근거

ORD 기록
ord-6beaf3556df446f1a3e39078e7c9bf4c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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