HRID184153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID93245

Trimethyloxidanium

C3H9O+

HCID98898

2,6-Di-tert-butyl-4-methylpyridine

C14H23N

结构：CCc1ccc2c(-c3cccc(Cl)c3)c(CCCCCO)c(-c3ccccc3)nn12

HCID69308839

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc2c(-c3cccc(Cl)c3)c(CCCCCOC)c(-c3ccccc3)nn12

HCID69311704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-983f43ad1a7648d88a3f84133c3042be
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:31]([F:32])([F:33])([F:34])[F:35].[C:40]([c:41]1[cH:42][c:43]([CH3:44])[cH:45][c:46]([C:47]([CH3:48])([CH3:49])[CH3:50])[n:51]1)([CH3:52])([CH3:53])[CH3:54].[CH3:36][O+:37]([CH3:38])[CH3:39].[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]3[n:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][OH:19])[c:26]([CH2:29][CH3:30])[cH:27][cH:28]3)[cH:5][cH:6][cH:7]1.[Cl:55][CH2:56][CH2:57][Cl:58]>>[Cl:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]3[n:10]([n:11][c:12](-[c:20]4[cH:21][cH:22][cH:23][cH:24][cH:25]4)[c:13]2[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][CH3:36])[c:26]([CH2:29][CH3:30])[cH:27][cH:28]3)[cH:5][cH:6][cH:7]1