HRID676264

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5558

Bromoform

CHBr3

HCID6344

Dichloromethane

CH2Cl2

HCID10906

tert-Butyl nitrite

C4H9NO2

结构：CC(C)c1ccc(Cl)c(-c2ccc(N)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID73014766

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc(Cl)c(-c2ccc(Br)cc2CN2C(=O)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2C)c1

HCID73005774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-793dca1f17d34eeea18e52f4e664c34a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH:47]([Br:48])([Br:49])[Br:50].[Cl:51][CH2:52][Cl:53].[N:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46].[NH2:1][c:2]1[cH:3][c:4]([CH2:18][N:19]2[C:20](=[O:39])[O:21][CH:22]([c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH:23]2[CH3:24])[c:5](-[c:8]2[c:9]([Cl:17])[cH:10][cH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[cH:6][cH:7]1>>[c:2]1([Br:48])[cH:3][c:4]([CH2:18][N:19]2[C:20](=[O:39])[O:21][CH:22]([c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH:23]2[CH3:24])[c:5](-[c:8]2[c:9]([Cl:17])[cH:10][cH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]2)[cH:6][cH:7]1