HRID1548963

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID15829159

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

C13H15ClN2O2

HCID67272354

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccccn1)N(CCCCNC(=O)OC(C)(C)C)Cc1nc2ccccc2n1C(=O)OC(C)(C)C

HCID67272513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db9e0f59a3ce4195b42d3950604e58ca
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][NH:12][CH:13]([CH3:14])[c:15]1[n:16][cH:17][cH:18][cH:19][cH:20]1)=[O:21].[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[n:29]1[c:30]([CH2:38][Cl:39])[n:31][c:32]2[c:33]1[cH:34][cH:35][cH:36][cH:37]2.[CH3:49][C:50]#[N:51].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH2:8][CH2:9][CH2:10][CH2:11][N:12]([CH:13]([CH3:14])[c:15]1[n:16][cH:17][cH:18][cH:19][cH:20]1)[CH2:38][c:30]1[n:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[c:33]2[c:32]([n:31]1)[cH:37][cH:36][cH:35][cH:34]2)=[O:21]