HRID1151074

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

HCID22262061

未命名化合物

PRODUCTS

生成物

结构：O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccoc1)c1ccc(F)c2ccccc12

HCID22261711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d3ec1550e504b43ab815c5af0cd252f
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

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