HRID676364

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12082

Benzoic acid, 4-amino-, methyl ester

C8H9NO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID22221254

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(NC(=O)CCc2cnoc2-c2ccccc2)cc1

HCID22221386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-889320e003954546bfe7207a1b9fe122
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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