HRID701378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

HCID26255

Tetrafluoroborate

BF4-

HCID93245

Trimethyloxidanium

C3H9O+

结构：CC(C)Oc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(cc[nH]c1=O)N2

HCID9801169

未命名化合物

PRODUCTS

生成物

结构：COc1nccc2c1C(c1ccccc1C(F)(F)F)c1c(ccnc1OC(C)C)N2

HCID14072014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b1ae738450f4455a1c85d630d8238b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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