HRID92172

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7504

Benzylamine

C7H9N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

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：CC(C)c1c(C(=O)NCc2ccccc2)nn(-c2ccc(F)cc2)c1C=O

HCID24754524

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf9fc6ed1de54a42b251c540a45a5660
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

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