HRID1547570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID174

Ethylene glycol

C2H6O2

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(CCOCc1ccccc1)CC1COc2c(F)ccc(F)c2C1S(=O)(=O)c1ccc(Cl)cc1

HCID67006344

未命名化合物

PRODUCTS

生成物

结构：O=S(=O)(c1ccc(Cl)cc1)C1c2c(F)ccc(F)c2OCC1CC1(CCOCc2ccccc2)OCCO1

HCID67005769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4f9ce7b9a58490cab173afb22f38542
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][C:11]([CH2:12][CH:13]1[CH2:14][O:15][c:16]2[c:17]([F:34])[cH:18][cH:19][c:20]([F:33])[c:21]2[CH:22]1[S:23](=[O:24])(=[O:25])[c:26]1[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]1)=[O:35].[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[OH2:51].[OH:36][CH2:37][CH2:38][OH:39].[c:40]1([CH3:41])[c:42]([S:43]([OH:44])(=[O:45])=[O:46])[cH:47][cH:48][cH:49][cH:50]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][C:11]1([CH2:12][CH:13]2[CH2:14][O:15][c:16]3[c:17]([F:34])[cH:18][cH:19][c:20]([F:33])[c:21]3[CH:22]2[S:23](=[O:24])(=[O:25])[c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[O:35][CH2:38][CH2:37][O:36]1