HRID2330890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12176

Glycine ethyl ester

C4H9NO2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID54846776

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNC(=O)c1cc(-c2ccccc2OCc2ccccc2)on1

HCID66591653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b1b4990c0664eba8299740ed2b194dd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[cH:16][c:17]([C:20](=[O:21])[OH:22])[n:18][o:19]2)[cH:11][cH:12][cH:13][cH:14]1.[CH2:55]([CH3:56])[O:57][C:58]([CH2:59][NH2:60])=[O:61].[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[ClH:53].[ClH:54].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10](-[c:15]2[cH:16][c:17]([C:20](=[O:22])[NH:60][CH2:59][C:58]([O:57][CH2:55][CH3:56])=[O:61])[n:18][o:19]2)[cH:11][cH:12][cH:13][cH:14]1