HRID2141483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID11776

Triphenylphosphine

C18H15P

HCID220568

Diethyl azodicarboxylate

C6H10N2O4

HCID5107660

4-(Chloromethyl)benzyl alcohol

C8H9ClO

结构：COC(=O)CCc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

HCID23157467

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCc1ccc(N(Cc2ccc(CCl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1

HCID23157281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c9c3bb7102247918529a34cc6dd6a55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:26][CH2:27][c:28]1[cH:29][cH:30][c:31]([CH2:32][OH:33])[cH:34][cH:35]1.[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[NH:13][c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[cH:6][cH:7][cH:8][cH:9]1.[O:55]=[C:56]([O:57][CH2:58][CH3:59])[N:60]=[N:61][C:62]([O:63][CH2:64][CH3:65])=[O:66].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[cH:15][cH:16][c:17]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[cH:18][cH:19]2)[CH2:32][c:31]2[cH:30][cH:29][c:28]([CH2:27][Cl:26])[cH:35][cH:34]2)[cH:6][cH:7][cH:8][cH:9]1