HRID2145209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCN)CC1

HCID54138878

未命名化合物

PRODUCTS

生成物

结构：COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCNC(=O)c2ccccc2)CC1

HCID10695810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf42aa82f39f4f14882b149ab626f321
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

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