HRID2145693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1038

Hydrogen ion

H+

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

结构：CC(C)(C)OC(=O)N1CCC(CO)(c2ccc(F)cc2)CC1

HCID19084679

未命名化合物

结构：CC(OC(=N)C(Cl)(Cl)Cl)c1cc(Cl)cc2c(C#N)cn(COCC[Si](C)(C)C)c12

HCID57546157

未命名化合物

PRODUCTS

生成物

结构：CC(OCC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1)c1cc(Cl)cc2c(C#N)cn(COCC[Si](C)(C)C)c12

HCID57546180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99b37bbe356c4b3c84eef35c032c5dce
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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