HRID2135279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID15908

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

C8H17N3

HCID66970

Ethanamine, 2-ethoxy-

C4H11NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID230653

3-Fluoro-4-nitrobenzoic acid

C7H4FNO4

PRODUCTS

生成物

HCID59198706

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52c781ccbf684d3ba47d60db0f29eb16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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