HRID1564325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID428029

3-(methylsulfonyl)aniline

C7H9NO2S

结构：c1ccc(P(C2CCCCC2)C2CCCCC2)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1

HCID24946987

([1,1'-Biphenyl]-2,2'-diyl)bis(dicyclohexylphosphane)

C36H52P2

结构：CN(c1ncccc1CNc1cccn2nc(Cl)nc12)S(C)(=O)=O

HCID67478948

未命名化合物

PRODUCTS

生成物

结构：CN(c1ncccc1CNc1cccn2nc(Nc3cccc(S(C)(=O)=O)c3)nc12)S(C)(=O)=O

HCID67478803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26b17f864cac41129104e64fdfca8428
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

[CH3:25][S:26](=[O:27])(=[O:28])[c:29]1[cH:30][c:31]([NH2:35])[cH:32][cH:33][cH:34]1.[CH:37]1([P:38]([CH:39]2[CH2:40][CH2:41][CH2:42][CH2:43][CH2:44]2)[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2-[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[P:57]([CH:58]2[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]2)[CH:64]2[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]2)[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Cl:1][c:2]1[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1.[ClH:36]>>[c:2]1([NH:35][c:31]2[cH:30][c:29]([S:26]([CH3:25])(=[O:27])=[O:28])[cH:34][cH:33][cH:32]2)[n:3][n:4]2[c:5]([c:6]([NH:10][CH2:11][c:12]3[c:13]([N:18]([S:19](=[O:20])(=[O:21])[CH3:22])[CH3:23])[n:14][cH:15][cH:16][cH:17]3)[cH:7][cH:8][cH:9]2)[n:24]1