HRID2150960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID36652

Methylaminoacetonitrile

C3H6N2

结构：CC(C)(C)C(=O)c1c[nH]c2ncc(-c3ccc(C(=O)O)s3)nc12

HCID57829585

未命名化合物

PRODUCTS

生成物

结构：CN(CC#N)C(=O)c1ccc(-c2cnc3[nH]cc(C(=O)C(C)(C)C)c3n2)s1

HCID57829619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c852ab25fce4c0e9f8460db80f6ebd8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][nH:7][c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:19](=[O:20])[OH:21])[s:18]3)[n:12][c:13]12)([CH3:22])[CH3:23].[CH3:24][NH:25][CH2:26][C:27]#[N:28].[CH3:29][CH2:30][N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39].[CH3:40][CH2:41][OH:42].[Cl:43][CH2:44][Cl:45]>>[CH3:1][C:2]([C:3](=[O:4])[c:5]1[cH:6][nH:7][c:8]2[n:9][cH:10][c:11](-[c:14]3[cH:15][cH:16][c:17]([C:19](=[O:20])[N:25]([CH3:24])[CH2:26][C:27]#[N:28])[s:18]3)[n:12][c:13]12)([CH3:22])[CH3:23]