HRID1218267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6584

Methyl acetate

C3H6O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1c(-c2ccccc2)sc2c1c(=O)c(C(=O)C(C)C)cn2Cc1c(F)cccc1F

HCID12049861

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)c1cn(Cc2c(F)cccc2F)c2sc(-c3ccccc3)c(CBr)c2c1=O

HCID18458614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3fe1855141d417bbd0c2817a0ccb5ea
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

[Br:32][N:33]1[C:34](=[O:35])[CH2:36][CH2:37][C:38]1=[O:39].[C:40]([O:41][CH3:42])(=[O:43])[CH3:44].[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]3[c:7]([c:8](=[O:16])[c:9]([C:11]([CH:12]([CH3:13])[CH3:14])=[O:15])[cH:10]2)[c:17]([CH3:26])[c:18](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[s:19]3)[c:27]([F:31])[cH:28][cH:29][cH:30]1.[OH2:45]>>[F:1][c:2]1[c:3]([CH2:4][n:5]2[c:6]3[c:7]([c:8](=[O:16])[c:9]([C:11]([CH:12]([CH3:13])[CH3:14])=[O:15])[cH:10]2)[c:17]([CH2:26][Br:32])[c:18](-[c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[s:19]3)[c:27]([F:31])[cH:28][cH:29][cH:30]1