HRID1152302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6344

Dichloromethane

CH2Cl2

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID120273

N-Iodosuccinimide

C4H4INO2

结构：COC(=O)C=C(C)c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1

HCID69218924

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C=C(C)c1ccc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1

HCID69218896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-92d88a72c6334241ade92ac70e849d6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[cH:10][cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:25].[CH3:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[Cl:52][CH2:53][Cl:54].[I:26][N:27]1[C:28](=[O:29])[CH2:30][CH2:31][C:32]1=[O:33].[OH2:34].[c:35]1([CH3:36])[cH:37][cH:38][c:39]([S:40]([OH:41])(=[O:42])=[O:43])[cH:44][cH:45]1>>[CH3:1][O:2][C:3]([CH:4]=[C:5]([CH3:6])[c:7]1[cH:8][c:9]2[c:10]([I:26])[cH:11][n:12]([S:16](=[O:17])(=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:13]2[cH:14][cH:15]1)=[O:25]