HRID318260

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

2 次

HCID2724934

1-(Chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane

C7H14ClFN2+2

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)c2ccnn12

HCID67009387

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(O[Si](C)(C)C(C)(C)C)CC2)c2c(F)cnn12

HCID67009219

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cb73158cbb24d2aaeae75fb4688823c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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