HRID2158557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2ccccc21

HCID11341306

未命名化合物

HCID11615550

METHYL 2-AMINO-3-BROMOBENZOATE

C8H8BrNO2

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)OC(C)C)c2c(Br)cccc21

HCID59003164

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0061d2ce609d4e36bbb17fe3e6c11d4d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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