HRID2319150

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID25137682

3,4-Dichloro-5-methyl-1H-pyrrole-2-carboxylic acid

C6H5Cl2NO2

结构：CCCOC1CN(C(=O)OCC)CCC1NC(=O)c1cc(Cl)c(C)[nH]1

HCID178458799

未命名化合物

PRODUCTS

生成物

结构：CCCOC1CN(C(=O)OCC)CCC1NC(=O)c1[nH]c(C)c(Cl)c1Cl

HCID72274451

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89961bdc18a44bc8b06fdb7c75855a41
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

[CH2:55]([N:56]=[C:57]=[N:58][CH2:59][CH2:60][CH2:61][N:62]([CH3:63])[CH3:64])[CH3:65].[CH3:47][N:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[Cl:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[NH:21][CH:22]2[CH:23]([O:33][CH2:34][CH2:35][CH3:36])[CH2:24][N:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:26][CH2:27]2)[nH:18][c:19]1[CH3:20].[Cl:1][c:2]1[c:3]([C:9](=[O:10])[OH:11])[nH:4][c:5]([CH3:8])[c:6]1[Cl:7].[Cl:66][CH2:67][Cl:68].[ClH:54].[OH:37][n:38]1[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[Cl:1][c:2]1[c:3]([C:9](=[O:11])[NH:21][CH:22]2[CH:23]([O:33][CH2:34][CH2:35][CH3:36])[CH2:24][N:25]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[CH2:26][CH2:27]2)[nH:4][c:5]([CH3:8])[c:6]1[Cl:7]