HRID1536458

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

HCID19660

Carbonate

CO3-2

HCID2063971

1-(Chloromethyl)-4-Ethoxybenzene

C9H11ClO

HCID58047276

未命名化合物

HCID67015783

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(CSc2ccc3oc(C(C)NC(C)=O)cc3c2)cc1

HCID58047107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-20d4f95d86bd4c72a38e83f214a5df25
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

[Br:17][c:18]1[cH:19][cH:20][c:21]2[o:22][c:23]([CH:24]([NH:25][C:26](=[O:27])[CH3:28])[CH3:29])[cH:30][c:31]2[cH:32]1.[C:44](=[O:45])([O-:46])[O-:47].[CH2:33]([CH3:34])[O:35][c:36]1[cH:37][cH:38][c:39]([CH2:40][Cl:41])[cH:42][cH:43]1.[K+:48].[K+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[SH:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH:10]([CH3:11])[NH:12][C:13]([CH3:14])=[O:15])[o:9]2)[cH:16]1>>[S:1]([c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:7][c:8]([CH:10]([CH3:11])[NH:12][C:13]([CH3:14])=[O:15])[o:9]2)[cH:16]1)[CH2:40][c:39]1[cH:38][cH:37][c:36]([O:35][CH2:33][CH3:34])[cH:43][cH:42]1