HRID87415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8078

Cyclohexane

C6H12

HCID8857

Ethyl acetate

C4H8O2

HCID67326

Benzenemethanamine, 4-fluoro-

C7H8FN

HCID66583658

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NCc2ccc(F)cc2)c(C2CC2)nc2cc(Br)ccc12

HCID56848080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b58934c15bf4fdf97d4dd78e1937a61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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