HRID1204473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

结构：Cn1c(=O)c(-c2ccc(F)cc2)cc2c3cc(-c4csc(CO)n4)ccc3n(C)c21

HCID66998266

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c(-c2ccc(F)cc2)cc2c3cc(-c4csc(COC(=O)C(C)(C)C)n4)ccc3n(C)c21

HCID66997878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-45381825f50e457290b63187e327ac3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[Cl:37].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12]([CH3:26])[c:13]4[cH:14][cH:15][c:16](-[c:19]5[n:20][c:21]([CH2:24][OH:25])[s:22][cH:23]5)[cH:17][c:18]34)[n:27]([CH3:30])[c:28]2=[O:29])[cH:6][cH:7]1.[OH2:38].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]3[c:11]([n:12]([CH3:26])[c:13]4[cH:14][cH:15][c:16](-[c:19]5[n:20][c:21]([CH2:24][O:25][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[s:22][cH:23]5)[cH:17][c:18]34)[n:27]([CH3:30])[c:28]2=[O:29])[cH:6][cH:7]1