HRID1216924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：COC(=O)c1cc(N2CCOCC2)cc2c1nc(C(F)(F)F)n2Cc1cccc(Cl)c1C

HCID56960264

1H-Benzimidazole-4-carboxylic acid, 1-[(3-chloro-2-methylphenyl)methyl]-6-(4-morpholinyl)-2-(trifluoromethyl)-, methyl ester

C22H21ClF3N3O3

PRODUCTS

生成物

结构：Cc1c(Cl)cccc1Cn1c(C(F)(F)F)nc2c(C(=O)O)cc(N3CCOCC3)cc21

HCID56960400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd7e1ea3a7844db8bbe9185d18d7d9ad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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