HRID88322

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID1068

Dimethyl sulfide

C2H6S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7964

Chlorobenzene

C6H5Cl

HCID8189

Triethylene glycol dimethyl ether

C8H18O4

HCID9609

Diethyl sulfide

C4H10S

HCID69144

Isopropyl phenyl ketone

C10H12O

结构：CC(C)(C)C(=O)C(=Cc1ccc(Cl)cc1Cl)n1cncn1

HCID54030782

未命名化合物

PRODUCTS

生成物

HCID95626

2-Methyl-1-phenylpropan-1-ol

C10H14O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8114423318324fa09d452d46af23f2ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:13][S:14][CH3:15].[CH3:16][CH2:17][S:18][CH2:19][CH3:20].[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6][CH2:7][O:8][CH2:9][CH2:10][O:11][CH3:12].[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:42]([CH3:43])([CH3:44])[C:45](=[O:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[Cl:21][c:22]1[cH:23][c:24]([Cl:25])[cH:26][cH:27][c:28]1[CH:29]=[C:30]([n:31]1[cH:32][n:33][cH:34][n:35]1)[C:36](=[O:37])[C:38]([CH3:39])([CH3:40])[CH3:41].[Cl:53][CH2:54][CH2:55][Cl:56].[Cl:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH:42]([CH3:43])([CH3:44])[CH:45]([OH:46])[c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1