HRID1536527

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID69524

2,2-Diethoxyethanamine

C6H15NO2

结构：Cc1ccc(C(=O)O)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

HCID58683782

未命名化合物

PRODUCTS

生成物

结构：CCOC(CNC(=O)c1ccc(C)c(-c2ccc(NC(=O)c3c(F)cccc3F)cc2)c1)OCC

HCID58683790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f91ca5f3b05e4a15b8bbeff6b1a02226
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:28]([CH3:29])[O:30][CH:31]([CH2:32][NH2:33])[O:34][CH2:35][CH3:36].[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][c:15]([C:20](=[O:21])[OH:22])[cH:16][cH:17][c:18]3[CH3:19])[cH:11][cH:12]2)[c:23]([F:27])[cH:24][cH:25][cH:26]1.[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:53]>>[F:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][cH:9][c:10](-[c:13]3[cH:14][c:15]([C:20](=[O:21])[NH:33][CH2:32][CH:31]([O:30][CH2:28][CH3:29])[O:34][CH2:35][CH3:36])[cH:16][cH:17][c:18]3[CH3:19])[cH:11][cH:12]2)[c:23]([F:27])[cH:24][cH:25][cH:26]1