3-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one → 1,1-Dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-5-(2-propyl)-1,2-benzothiazol-3(2H)-one

반응식

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

참가 물질

반응물 2

HCID 113219283-(4-Piperidinyl)-1,3-benzoxazol-2(3H)-one

HCID 190858552-(4-hydroxybutyl)-1,1-dioxido-5-(2-propyl)-1,2-benzothiazol-3(2H)-one

생성물 1

HCID 190858341,1-Dioxido-2-(4-(4-(2-oxo-3-benzoxazolinyl)-piperidin-1-yl)-butyl)-5-(2-propyl)-1,2-benzothiazol-3(2H)-one

출처 및 근거

ORD 기록: ord-337c8c90e6dc4a3cbcbc6be43163dd98
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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