HRID694652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9973

Benzoic acid, 4-fluoro-

C7H5FO2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(N)c1

HCID67441465

未命名化合物

PRODUCTS

生成物

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(NC(=O)c2ccc(F)cc2)c1

HCID67441743

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22669c2caaa445aaa8adda368896e9f0
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

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