HRID949769

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID674

Dimethylamine

C2H7N

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

结构：Cc1nc2c(OCc3ccccc3)cc(C(=O)O)cc2[nH]1

HCID68574531

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2c(OCc3ccccc3)cc(C(=O)N(C)C)cc2[nH]1

HCID68574634

N,N,2-Trimethyl-7-(phenylmethoxy)-1H-benzimidazole-5-carboxamide

C18H19N3O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1faeaa7d06b4b17b4e217319b7232ca
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:64]([O:65][CH2:66][CH3:67])(=[O:68])[CH3:69].[CH3:1][c:2]1[n:3][c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:19](=[O:20])[OH:21])[cH:9][c:10]2[O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1.[CH3:23][NH:24][CH3:25].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[CH3:62][OH:63].[ClH:22].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][c:2]1[n:3][c:4]2[c:5]([nH:6]1)[cH:7][c:8]([C:19](=[O:21])[N:24]([CH3:23])[CH3:25])[cH:9][c:10]2[O:11][CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1