HRID698712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID308

3-Phenyl-2-propen-1-ol

C9H10O

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

HCID11843

2-Methyl-1,3-benzenediol

C7H8O2

HCID66606284

未命名化合物

结构：Cc1c(O)c(CC=Cc2ccccc2)cc(CC=Cc2ccccc2)c1O

HCID86663002

未命名化合物

PRODUCTS

生成物

HCID14224896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-471491fa33824f9c9bec7b28fc39ae11
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[c:42]([OH:49])[c:43]([CH3:48])[c:44]([OH:47])[cH:45][cH:46]1.[CH2:50]([c:51]1[cH:52][c:53]([CH2:54][CH:55]=[CH:56][c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]([OH:64])[c:65]([CH3:66])[c:67]1[OH:68])[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[CH3:11][c:12]1[c:13]([OH:14])[cH:15][cH:16][cH:17][c:18]1[OH:19].[CH3:81][c:82]1[cH:83][cH:84][cH:85][cH:86][cH:87]1.[CH3:88][CH2:89][O:90][C:91]([CH3:92])=[O:93].[Cl:77][CH2:78][CH2:79][Cl:80].[OH2:20].[c:1]1([CH:2]=[CH:3][CH2:4][OH:5])[cH:6][cH:7][cH:8][cH:9][cH:10]1.[c:21]1([CH3:22])[cH:23][cH:24][c:25]([S:26]([OH:27])(=[O:28])=[O:29])[cH:30][cH:31]1>>[CH2:32]1[CH2:33][CH:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[O:49][c:42]2[c:41]1[cH:46][cH:45][c:44]([OH:47])[c:43]2[CH3:48]