HRID90063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID72881

2-Thiophenesulfonamide

C4H5NO2S2

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

结构：COC(=O)CC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CO)C2CC2)C1=O

HCID76834626

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CC1(C)CC(c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N(C(CNS(=O)(=O)c2cccs2)C2CC2)C1=O

HCID76834650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-611fd169e7a54b228d63848c24514509
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

[C:34]([CH:35]=[P:36]([CH2:37][CH2:38][CH2:39][CH3:40])([CH2:41][CH2:42][CH2:43][CH3:44])[CH2:45][CH2:46][CH2:47][CH3:48])#[N:49].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:28])([CH2:29][C:30](=[O:31])[O:32][CH3:33])[C:11](=[O:27])[N:12]([CH:21]([CH2:22][OH:23])[CH:24]3[CH2:25][CH2:26]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[s:50]1[c:51]([S:55](=[O:56])(=[O:57])[NH2:58])[cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:28])([CH2:29][C:30](=[O:31])[O:32][CH3:33])[C:11](=[O:27])[N:12]([CH:21]([CH2:22][NH:58][S:55]([c:51]3[s:50][cH:54][cH:53][cH:52]3)(=[O:56])=[O:57])[CH:24]3[CH2:25][CH2:26]3)[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1