HRID1142939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID263103

N-Methyl-1-(2-methylphenyl)methanamine

C9H13N

结构：CC(C)c1c(C(=O)O)nn(-c2ccc(F)cc2)c1C=O

HCID24754974

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(C=O)c1C(C)C

HCID24755126

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f28c7c790e5840ce9e2ff4380a891357
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

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