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Acetate → 5-(4-chlorobenzylthio)-2-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyridazin-3(2H)-one

HRID 666449
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HRID 666449 반응식
[C:46]([O-:47])(=[O:48])[CH3:49].[C:51]([O-:52])(=[O:53])[CH3:54].[CH3:44][OH:45].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][S:7][c:8]2[cH:9][c:10](=[O:14])[nH:11][n:12][cH:13]2)[cH:15][cH:16]1.[Cl:41][CH2:42][Cl:43].[ClH:40].[Cu+2:50].[OH:17][C:18]([CH2:19][O:20][c:21]1[c:22]([O:30][CH3:31])[cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([CH3:32])[CH3:33].[cH:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][S:7][c:8]2[cH:9][c:10](=[O:14])[n:11](-[c:24]3[cH:23][c:22]([O:30][CH3:31])[c:21]([O:20][CH2:19][C:18]([OH:17])([CH3:32])[CH3:33])[cH:26][cH:25]3)[n:12][cH:13]2)[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175Acetate2회HCID 313Hydrochloric AcidHCID 887MethanolHCID 1049PyridineHCID 6344DichloromethaneHCID 27099Cupric cationHCID 585798575-(4-chlorobenzylthio)pyridazin-3(2H)-one
HCID 58579863
4-(2-Hydroxy-2-methylpropoxy)-3-methoxyphenylboronic acid

생성물 1

HCID 469272905-(4-chlorobenzylthio)-2-(4-(2-hydroxy-2-methylpropoxy)-3-methoxyphenyl)pyridazin-3(2H)-one

출처 및 근거

ORD 기록
ord-d605b7c86ae346fd9788a44a0d21fb87
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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