4-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone → N-{[1-(4-Benzo[1,3]dioxol-5-yl-4-hydroxy-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

반응식

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

참가 물질

반응물 2

HCID 151996894-Benzo[1,3]dioxol-5-yl-4-hydroxycyclohexanone

HCID 59361594N-(azetidin-3-ylcarbamoylmethyl)-3-trifluoromethyl-benzamide

생성물 1

HCID 49764196N-{[1-(4-Benzo[1,3]dioxol-5-yl-4-hydroxy-cyclohexyl)-azetidin-3-ylcarbamoyl]-methyl}-3-trifluoromethyl-benzamide

출처 및 근거

ORD 기록: ord-b8c15d3c69574ca082cb0ad7ed4f2998
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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