Dichloromethane → 3-(5,6,7,8,9,10-Hexahydro[1,2,4]triazolo[4,3-a]azocin-3-yl)-3-(2-thienyl)cyclobutanone

반응식

[CH2:30]([Cl:31])[Cl:32].[CH3:22][N+:23]1([O-:24])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]1.[n:1]1[n:2][c:3]([C:12]2([c:17]3[s:18][cH:19][cH:20][cH:21]3)[CH2:13][CH:14]([OH:16])[CH2:15]2)[n:4]2[c:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2>>[n:1]1[n:2][c:3]([C:12]2([c:17]3[s:18][cH:19][cH:20][cH:21]3)[CH2:13][C:14](=[O:16])[CH2:15]2)[n:4]2[c:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 82029Methyl morpholine oxide

HCID 590064423-(5,6,7,8,9,10-Hexahydro[1,2,4]triazolo[4,3-a]azocin-3-yl)-3-(2-thienyl)cyclobutanol

생성물 1

HCID 684665703-(5,6,7,8,9,10-Hexahydro[1,2,4]triazolo[4,3-a]azocin-3-yl)-3-(2-thienyl)cyclobutanone

출처 및 근거

ORD 기록: ord-85ad924097dc41f8aa9f3e2c93b29b80
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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