HRID1537329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

结构：C=Cc1c(OCc2ccc(F)cc2F)c(Br)c(=O)n(-c2c(F)cccc2F)c1C

HCID22050199

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(O)CO)c(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1c(F)cccc1F

HCID22050039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d0d831c0c8c4dfb8bc2133db1d99d27
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:1][c:2]1[c:3](=[O:29])[n:4](-[c:21]2[c:22]([F:28])[cH:23][cH:24][cH:25][c:26]2[F:27])[c:5]([CH3:20])[c:6]([CH:18]=[CH2:19])[c:7]1[O:8][CH2:9][c:10]1[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]1.[C:39](#[N:40])[CH3:41].[CH3:30][N+:31]1([O-:32])[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[CH3:42][C:43]([CH3:44])=[O:45].[OH2:38].[OH2:46]>>[Br:1][c:2]1[c:3](=[O:29])[n:4](-[c:21]2[c:22]([F:28])[cH:23][cH:24][cH:25][c:26]2[F:27])[c:5]([CH3:20])[c:6]([CH:18]([CH2:19][OH:38])[OH:46])[c:7]1[O:8][CH2:9][c:10]1[c:11]([F:17])[cH:12][c:13]([F:16])[cH:14][cH:15]1