4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenol → (3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)methanone

반응식

[CH2:1]1[O:2][CH2:3][C:4]12[CH2:5][N:6]([CH2:8][c:9]1[cH:10][cH:11][c:12]([OH:15])[cH:13][cH:14]1)[CH2:7]2.[CH3:16][S:17]([O:18][CH:21]1[CH2:22][N:23]([C:25](=[O:26])[c:27]2[o:28][c:29](-[c:32]3[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[n:30][n:31]2)[CH2:24]1)(=[O:19])=[O:20]>>[CH2:1]1[O:2][CH2:3][C:4]12[CH2:5][N:6]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH:21]3[CH2:22][N:23]([C:25](=[O:26])[c:27]4[o:28][c:29](-[c:32]5[cH:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]5)[n:30][n:31]4)[CH2:24]3)[cH:13][cH:14]1)[CH2:7]2

참가 물질

반응물 2

HCID 595635064-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenol

HCID 595635071-(5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-carbonyl)azetidin-3-yl methanesulfonate

생성물 1

HCID 46937295(3-(4-(2-Oxa-6-azaspiro[3.3]heptan-6-ylmethyl)phenoxy)azetidin-1-yl)(5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl)methanone

출처 및 근거

ORD 기록: ord-266d5031b1db49c4afd780de9386f5f9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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