HRID165991

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID74368

N'-Methylsulfanilamide

C7H10N2O2S

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID4574913

未命名化合物

HCID11644208

未命名化合物

PRODUCTS

生成物

结构：CNS(=O)(=O)c1ccc(Nc2cc(N3CCCC3)cc(Cl)n2)cc1

HCID11639217

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d6b8a5349fe4d6bad4b05fb9fba476d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:85]([O-:86])(=[O:87])[CH3:88].[C:90]([O-:91])(=[O:92])[CH3:93].[CH3:14][C:15]([CH3:16])([O-:17])[CH3:18].[CH3:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Cl:1][c:2]1[n:3][c:4]([Cl:13])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:7]1.[K+:19].[NH2:66][c:67]1[cH:68][cH:69][c:70]([S:73](=[O:74])(=[O:75])[NH:76][CH3:77])[cH:71][cH:72]1.[OH2:94].[Pd+2:89].[cH:20]1[cH:21][cH:22][c:23]([P:24]([c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:30][cH:31][cH:32][cH:33]3)[c:34]2-[c:35]2[c:36]3[c:37]([cH:38][cH:39][cH:40][cH:41]3)[cH:42][cH:43][c:44]2[P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[cH:64][cH:65]1>>[c:2]1([NH:66][c:67]2[cH:68][cH:69][c:70]([S:73](=[O:74])(=[O:75])[NH:76][CH3:77])[cH:71][cH:72]2)[n:3][c:4]([Cl:13])[cH:5][c:6]([N:8]2[CH2:9][CH2:10][CH2:11][CH2:12]2)[cH:7]1