HRID1535429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID15829159

tert-Butyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate

C13H15ClN2O2

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(O)cccc2C1=O

HCID67334268

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C(CCC(N)=O)N1Cc2c(OCc3nc4ccccc4n3C(=O)OC(C)(C)C)cccc2C1=O

HCID67335283

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5950baa35774415999699e518716ed63
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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