HRID2339522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID69221

Glycine methyl ester

C3H7NO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CC(C)(C)OC(=O)N1c2ccccc2CC1c1nc(C(=O)O)c[nH]1

HCID178451416

未命名化合物

HCID178458057

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CNC(=O)c1c[nH]c(C2Cc3ccccc3N2C(=O)OC(C)(C)C)n1

HCID178501649

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34b52f54b45740c9baac834a725a7fa4
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

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