HRID1122824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：Nc1nccn2c(C3CCNCC3)nc(-c3cc4ccccc4[nH]3)c12

HCID16678649

未命名化合物

PRODUCTS

生成物

结构：Nc1nccn2c(C3CCN(C=O)CC3)nc(-c3cc4ccccc4[nH]3)c12

HCID16678650

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dee54ae3b219496ca221a787fae5c32d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:28][N:29]([CH3:30])[CH2:31][CH2:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH3:38].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[CH:48](=[O:49])[OH:50].[Cl:51][CH2:52][Cl:53].[ClH:1].[ClH:27].[nH:2]1[c:3](-[c:11]2[n:12][c:13]([CH:21]3[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]3)[n:14]3[c:15]2[c:16]([NH2:20])[n:17][cH:18][cH:19]3)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12>>[nH:2]1[c:3](-[c:11]2[n:12][c:13]([CH:21]3[CH2:22][CH2:23][N:24]([CH:48]=[O:49])[CH2:25][CH2:26]3)[n:14]3[c:15]2[c:16]([NH2:20])[n:17][cH:18][cH:19]3)[cH:4][c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12