HRID158394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3613651

3-(Pyrrolidin-3-yl)pyridine

C9H12N2

HCID22831696

5-(4-Chlorophenyl)-1,2-oxazole-4-carboxylic acid

C10H6ClNO3

PRODUCTS

生成物

结构：O=C(c1cnoc1-c1ccc(Cl)cc1)N1CCC(c2cccnc2)C1

HCID59170218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5e69c0d03914a438ab2a292c313e525
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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