HRID293729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID13808361

未命名化合物

HCID66869876

未命名化合物

PRODUCTS

生成物

结构：CCOCCn1c(C2CCN(CCc3ccc(C(C)(C)C4=NC(C)(C)CO4)cc3)CC2)nc2ccccc21

HCID40467031

2-[1-[2-[4-[1-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)-1-methylethyl]phenyl]ethyl]-4-piperidinyl]-1-(2-ethoxyethyl)-1H-benzimidazole

C32H44N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8838cb09463e40b1916ffb7f9e7439ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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