HRID90968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7738

(4-Methoxyphenyl)methanol

C8H10O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)N1C(=O)C(NCC(=O)O)=C(c2ccccc2)S1(=O)=O

HCID67241765

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COC(=O)CNC2=C(c3ccccc3)S(=O)(=O)N(C(C)(C)C)C2=O)cc1

HCID67241766

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-375de730d94a42ffbb74589f5c43572f
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:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][C:13](=[O:14])[OH:15])[C:9]1=[O:10].[CH2:34]([Cl:35])[CH2:36][Cl:37].[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([CH2:32][OH:33])[cH:30][cH:31]1.[CH3:44][N:45]([c:46]1[cH:47][cH:48][n:49][cH:50][cH:51]1)[CH3:52].[Cl:53][CH2:54][Cl:55].[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][C:13](=[O:14])[O:15][CH2:32][c:29]2[cH:28][cH:27][c:26]([O:25][CH3:24])[cH:31][cH:30]2)[C:9]1=[O:10]