HRID1117753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7748

Ethyl bromoacetate

C4H7BrO2

结构：CC(C)n1c(=O)n(C)c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc21

HCID22114840

未命名化合物

结构：CC(C)n1c(=O)[nH]c2cc(-c3ncc(C(F)(F)F)cc3Cl)ccc21

HCID22114855

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1c(=O)n(C(C)C)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc21

HCID22114867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b867eb3f3d447aca4b618ed218e62fc
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

[Br:50][CH2:51][C:52](=[O:53])[O:54][CH2:55][CH3:56].[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]3[c:15]([n:16]([CH:21]([CH3:22])[CH3:23])[c:17](=[O:20])[n:18]3[CH3:19])[cH:24][cH:25]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[Cl:26][c:27]1[c:28](-[c:29]2[cH:30][cH:31][c:32]3[n:33]([CH:34]([CH3:35])[CH3:36])[c:37](=[O:38])[nH:39][c:40]3[cH:41]2)[n:42][cH:43][c:44]([C:45]([F:46])([F:47])[F:48])[cH:49]1>>[Cl:1][c:2]1[c:3](-[c:12]2[cH:13][c:14]3[c:15]([n:16]([CH:21]([CH3:22])[CH3:23])[c:17](=[O:20])[n:18]3[CH2:19][C:52](=[O:53])[O:54][CH2:55][CH3:56])[cH:24][cH:25]2)[n:4][cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1