HRID1213851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID68448

4-Fluoro-1-naphthoic acid

C11H7FO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)Oc1ccc(CC(N)C(O)c2cccc(Cl)c2)cc1

HCID22261849

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)Oc1ccc(CC(NC(=O)c2ccc(F)c3ccccc23)C(O)c2cccc(Cl)c2)cc1

HCID22262298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7b6058791834574ac76be08f7885af4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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