HRID85996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl Acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID61778

Bisulfate anion

HO4S-

HCID68573088

未命名化合物

PRODUCTS

产物

HCID68659470

Methyl 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-2-methylbenzoate

C25H20ClN3O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-da7829a67cf34e4fb0903f68cf2ac969
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:42]([N+:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH3:58].[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:66][CH2:67][O:68][C:69]([CH3:70])=[O:71].[Cl:1][c:2]1[c:3](-[c:31]2[cH:32][c:33]3[cH:34][cH:35][n:36]([CH3:40])[c:37]3[cH:38][cH:39]2)[cH:4][c:5]2[c:6]([n:7]([CH2:22][O:23][CH2:24][CH2:25][Si:26]([CH3:27])([CH3:28])[CH3:29])[c:8]([O:10][c:11]3[cH:12][cH:13][c:14]([CH3:21])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20]3)[n:9]2)[cH:30]1.[F-:41].[K+:77].[Na+:60].[OH-:59].[S:72](=[O:73])(=[O:74])([OH:75])[O-:76]>>[Cl:1][c:2]1[c:3](-[c:31]2[cH:32][c:33]3[cH:34][cH:35][n:36]([CH3:40])[c:37]3[cH:38][cH:39]2)[cH:4][c:5]2[c:6]([nH:7][c:8]([O:10][c:11]3[cH:12][cH:13][c:14]([CH3:21])[c:15]([C:16](=[O:17])[O:18][CH3:19])[cH:20]3)[n:9]2)[cH:30]1