HRID1119620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID605123

2-(4-Fluorophenoxy)nicotinic acid

C12H8FNO3

HCID1394186

4'-aminomethyl-biphenyl-3-carboxylic acid methyl ester

C15H15NO2

PRODUCTS

生成物

结构：COC(=O)c1cccc(-c2ccc(CNC(=O)c3cccnc3Oc3ccc(F)cc3)cc2)c1

HCID20601402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47c5812004ab4522a40185130b443a43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:18][O:19][C:20](=[O:21])[c:22]1[cH:23][c:24](-[c:28]2[cH:29][cH:30][c:31]([CH2:34][NH2:35])[cH:32][cH:33]2)[cH:25][cH:26][cH:27]1.[CH3:48][N:49]([CH3:50])[CH2:51][CH2:52][CH2:53][N:54]=[C:55]=[N:56][CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[ClH:47].[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17]1.[OH2:36].[OH2:64].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:6][c:7]2[c:8]([C:9](=[O:11])[NH:35][CH2:34][c:31]3[cH:30][cH:29][c:28](-[c:24]4[cH:23][c:22]([C:20]([O:19][CH3:18])=[O:21])[cH:27][cH:26][cH:25]4)[cH:33][cH:32]3)[cH:12][cH:13][cH:14][n:15]2)[cH:16][cH:17]1