Hydrochloric Acid → 1-(3-Naphthalen-1-ylprop-2-enoyl)-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 983073-(1-Naphthalenyl)-2-propenoic acid

HCID 667830264-(3-Piperidin-1-yl-propyl)-[1,4]diazepan-5-one

생성물 1

HCID 684322751-(3-Naphthalen-1-ylprop-2-enoyl)-4-(3-piperidin-1-ylpropyl)-1,4-diazepan-5-one

출처 및 근거

ORD 기록: ord-1cc5620c1feb469588ee4ee4c61105ae
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…