Hydrochloric Acid → trans-2-Benzo[1,3]dioxol-5-yl-N-(4-{2-[4-(2,3-dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

HRID 168761

반응식

HRID 168761 반응식
[ClH:1].[ClH:2].[ClH:3].[O:28]1[CH2:29][O:30][c:31]2[c:32]1[cH:33][cH:34][c:35]([CH2:37][C:38](=[O:39])[OH:40])[cH:36]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]([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:38]([CH2:37][c:35]4[cH:34][cH:33][c:32]5[c:31]([cH:36]4)[O:30][CH2:29][O:28]5)=[O:39])[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 76115Benzo-1,3-dioxole-5-acetic acidHCID 580457044-[2-[4-(2,3-Dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 56592000trans-2-Benzo[1,3]dioxol-5-yl-N-(4-{2-[4-(2,3-dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-acetamide

출처 및 근거

ORD 기록
ord-69dcc82e8e474b059020a71f4bb176ba
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…