HRID1217471

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7504

Benzylamine

C7H9N

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

结构：CCOC(=O)c1c[nH]c(-c2n[nH]c3ncccc23)c1

HCID178469891

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)c1c[nH]c(-c2n[nH]c3ncccc23)c1

HCID178522815

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff20d6cb7ec541ef91b7d7f1970f7d9f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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