HRID1133289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12185

Ethyl mercaptoacetate

C4H8O2S

HCID166653

Hydride

H-

结构：O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Cl)cc(C(F)(F)F)c12

HCID21948169

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CSc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1

HCID11684737

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e24b3341c4bc469ba86247a7966dd030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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