HRID2322924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7812

4-Chloroaniline

C6H6ClN

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID67053953

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccnc2ccccc12

HCID11647134

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed3da639956143f4a233a33b1bca25fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:39][CH2:40][O:41][C:42](=[O:43])[CH3:44].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH:30]([N:31]([CH2:32][CH3:33])[CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[NH2:22][c:23]1[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]1.[n:1]1[cH:2][cH:3][c:4]([CH2:11][S:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[C:19](=[O:20])[OH:21])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[n:1]1[cH:2][cH:3][c:4]([CH2:11][S:12][c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[C:19](=[O:21])[NH:22][c:23]2[cH:24][cH:25][c:26]([Cl:27])[cH:28][cH:29]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12