HRID189540

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7295

Methyl chloroacetate

C3H5ClO2

HCID19660

Carbonate

CO3-2

结构：Cc1c(SCCNCc2ccccc2)ccnc1CSc1nc2ccccc2[nH]1

HCID19963084

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CN(CCSc1ccnc(CSc2nc3ccccc3[nH]2)c1C)Cc1ccccc1

HCID19963012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e0ae170909a544c7a02547ff7ab47b88
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:1][c:2]1[c:3]([CH2:19][S:20][c:21]2[n:22][c:23]3[c:24]([nH:25]2)[cH:26][cH:27][cH:28][cH:29]3)[n:4][cH:5][cH:6][c:7]1[S:8][CH2:9][CH2:10][NH:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[Cl:30][CH2:31][C:32](=[O:33])[O:34][CH3:35].[K+:40].[K+:41]>>[CH3:1][c:2]1[c:3]([CH2:19][S:20][c:21]2[nH:22][c:23]3[c:24]([n:25]2)[cH:26][cH:27][cH:28][cH:29]3)[n:4][cH:5][cH:6][c:7]1[S:8][CH2:9][CH2:10][N:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[CH2:31][C:32](=[O:33])[O:34][CH3:35]