HRID108712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID283879

2-Methyl-2-phenylpropanal

C10H12O

结构：Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

HCID582056

Tris(pentafluorophenyl)borane

C18BF15

HCID587460

4-Methylbenzenesulfinamide

C7H9NOS

HCID5743355

2,2-Dimethyl-3-phenyloxirane

C10H12O

PRODUCTS

生成物

HCID69625669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-930324fc8c754ce8b3e91ee7ca878558
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

[CH3:1][C:2]1([CH3:3])[CH:4]([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[O:11]1.[CH3:46][C:47]([CH:48]=[O:49])([CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:73][CH2:74][O-:75].[CH3:77][CH2:78][O-:79].[CH3:80][CH2:81][O-:82].[CH3:83][CH2:84][O-:85].[F:12][c:13]1[c:14]([B:15]([c:16]2[c:17]([F:18])[c:19]([F:20])[c:21]([F:22])[c:23]([F:24])[c:25]2[F:26])[c:27]2[c:28]([F:29])[c:30]([F:31])[c:32]([F:33])[c:34]([F:35])[c:36]2[F:37])[c:38]([F:39])[c:40]([F:41])[c:42]([F:43])[c:44]1[F:45].[Ti+4:76].[c:57]1([CH3:66])[cH:58][cH:59][c:60]([S:63](=[O:64])[NH2:65])[cH:61][cH:62]1.[cH:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1>>[CH3:46][C:47]([CH:48]=[N:65][S:63]([c:60]1[cH:59][cH:58][c:57]([CH3:66])[cH:62][cH:61]1)=[O:64])([CH3:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1