HRID1121481

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

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79242

Hydrazinecarboxylic acid, phenylmethyl ester

C8H10N2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID83692

Glycine, N-[(1,1-dimethylethoxy)carbonyl]-N-methyl-

C8H15NO4

PRODUCTS

生成物

结构：CN(CC(=O)NNC(=O)OCc1ccccc1)C(=O)OC(C)(C)C

HCID59796921

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e6f53edb95a4ee7a363c28da22337a4
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:11])[OH:12])[CH3:13].[CH2:14]([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[O:21][C:22](=[O:23])[NH:24][NH2:25].[CH2:47]([N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56])[CH3:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[ClH:46].[OH2:26].[OH2:63].[OH:27][n:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH2:9][C:10](=[O:12])[NH:25][NH:24][C:22]([O:21][CH2:14][c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)=[O:23])[CH3:13]