HRID836019

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

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID937057

5-Chloro-1-naphthoic acid

C11H7ClO2

结构：CC(C)(C)c1ccc(CC(N)C(O)c2cccc(Cl)c2)cc1

HCID22261970

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CC(NC(=O)c2cccc3c(Cl)cccc23)C(O)c2cccc(Cl)c2)cc1

HCID22262327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-354dc79589f44ff5a85d49e8a7ca080b
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:38]([N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47])[CH3:48].[CH3:60][C:61]#[N:62].[Cl:23][c:24]1[c:25]2[cH:26][cH:27][cH:28][c:29]([C:34](=[O:35])[OH:36])[c:30]2[cH:31][cH:32][cH:33]1.[ClH:37].[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]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]1.[OH2:49].[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]([Cl:11])[cH:8][cH:9][cH:10]1)[CH2:12][c:13]1[cH:14][cH:15][c:16]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:17][cH:18]1)[C:34]([c:29]1[cH:28][cH:27][cH:26][c:25]2[c:24]([Cl:23])[cH:33][cH:32][cH:31][c:30]21)=[O:35]