HRID90411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID68448

4-Fluoro-1-naphthoic acid

C11H7FO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1

HCID22261782

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)c(F)c1)c1ccc(F)c2ccccc12

HCID22261390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db11b4abcaaa496fb8b0937307ba24eb
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

[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:60][C:61]#[N:62].[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]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[OH2:63].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1>>[NH:1]([CH:2]([CH:3]([OH:4])[c:5]1[cH:6][c:7]([F:12])[c:8]([F:11])[cH:9][cH:10]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]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]