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

HRID 86179

반응식

HRID 86179 반응식
[ClH:1].[ClH:2].[ClH:3].[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH2:27])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21.[n:28]1[cH:29][c:30](-[c:34]2[cH:35][cH:36][c:37]([C:38](=[O:39])[OH:40])[cH:41][cH:42]2)[cH:31][cH:32][cH:33]1>>[O:4]1[CH2:5][CH2:6][c:7]2[c:8]([N:13]3[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][CH:21]4[CH2:22][CH2:23][CH:24]([NH:27][C:38]([c:37]5[cH:36][cH:35][c:34](-[c:30]6[cH:29][n:28][cH:33][cH:32][cH:31]6)[cH:42][cH:41]5)=[O:39])[CH2:25][CH2:26]4)[CH2:17][CH2:18]3)[n:9][cH:10][cH:11][c:12]21

참가 물질

4

반응물 3

HCID 313Hydrochloric Acid3회HCID 15152444-Pyridin-3-yl-benzoic acidHCID 585673424-[2-[4-(2,3-Dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 67125836trans-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-4-pyridin-3-yl-benzamide

출처 및 근거

ORD 기록
ord-fce81c2b2eb54707ae42b36e102fd4bb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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