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

HRID 179090

반응식

HRID 179090 반응식
[CH3:28][CH:29]([C:30](=[O:31])[OH:32])[CH2:33][CH3:34].[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:30]([CH:29]([CH3:28])[CH2:33][CH3:34])=[O:31])[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 83142-Methylbutanoic AcidHCID 580457044-[2-[4-(2,3-Dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine

생성물 1

HCID 56592082trans-N-(4-{2-[4-(2,3-Dihydro-furo[2,3-c]pyridin-7-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-(RS)-2-methyl-butyramide

출처 및 근거

ORD 기록
ord-fdf23b548d8240dc8a9767f92340f2e3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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