HRID122526

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID8058

Hexane

C6H14

HCID30165

Iodide ion

I-

HCID2723784

未命名化合物

HCID10784070

未命名化合物

PRODUCTS

产物

HCID10362193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-282a33e62b134f11ad553fbe1568c516
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

[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:31][C:32]1([CH3:56])[c:33]2[cH:34][cH:35][c:36]([C:44](=[O:45])[c:46]3[cH:47][cH:48][c:49]([C:50](=[O:51])[O:52][CH3:53])[cH:54][cH:55]3)[cH:37][c:38]2[C:39]([CH3:42])([CH3:43])[CH2:40][CH2:41]1.[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH:2]([CH3:3])([CH3:4])[P+:5]([c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1)([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1.[Cl:63][CH2:64][Cl:65].[I-:1].[cH:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1>>[C:2]([CH3:3])([CH3:4])=[C:44]([c:36]1[cH:35][cH:34][c:33]2[c:38]([cH:37]1)[C:39]([CH3:42])([CH3:43])[CH2:40][CH2:41][C:32]2([CH3:31])[CH3:56])[c:46]1[cH:47][cH:48][c:49]([C:50](=[O:51])[O:52][CH3:53])[cH:54][cH:55]1