HRID832734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID13624

2-Aminobenzimidazole

C7H7N3

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCNCC2)c(C)c1

HCID58997074

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(CN(Cc2ncccc2C(C)C)C2CCN(C(=O)Nc3nc4ccccc4[nH]3)CC2)c(C)c1

HCID58997219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a9340e707c04f30aeddb1666403a568
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:11](=[O:12])([n:13]1[cH:14][cH:15][n:16][cH:17]1)[n:18]1[cH:19][cH:20][n:21][cH:22]1.[CH3:23][c:24]1[c:25]([CH2:31][N:32]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[CH2:39][c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[CH:46]([CH3:47])[CH3:48])[n:26][cH:27][c:28]([CH3:30])[cH:29]1.[Cl:54][CH2:55][Cl:56].[NH2:1][c:2]1[n:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[nH:10]1.[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[NH:1]([c:2]1[nH:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]2[n:10]1)[C:11](=[O:12])[N:36]1[CH2:35][CH2:34][CH:33]([N:32]([CH2:31][c:25]2[c:24]([CH3:23])[cH:29][c:28]([CH3:30])[cH:27][n:26]2)[CH2:39][c:40]2[n:41][cH:42][cH:43][cH:44][c:45]2[CH:46]([CH3:47])[CH3:48])[CH2:38][CH2:37]1