HRID665359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8071

未命名化合物

HCID161915

Tosylmethyl isocyanide

C9H9NO2S

HCID4574913

未命名化合物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID86605775

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2CC#N)ccc1OCc1nc(-c2ccco2)oc1C

HCID69216098

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-248874b76b6649c380c967e0cbd296bc
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

[CH2:58]([CH2:59][O:60][CH3:61])[O:62][CH3:63].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:56][OH:57].[K+:6].[OH2:64].[c:7]1([CH3:8])[cH:9][cH:10][c:11]([S:12](=[O:14])(=[O:15])[CH2:16][N+:17]#[C-:13])[cH:18][cH:19]1.[o:20]1[c:21](-[c:25]2[o:26][c:27]([CH3:55])[c:28]([CH2:30][O:31][c:32]3[c:33]([O:53][CH3:54])[cH:34][c:35]([CH2:36][O:37][c:38]4[n:39][n:40](-[c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[cH:41][c:42]4[CH:43]=[O:44])[cH:51][cH:52]3)[n:29]2)[cH:22][cH:23][cH:24]1>>[C:16](#[N:17])[CH2:43][c:42]1[c:38]([O:37][CH2:36][c:35]2[cH:34][c:33]([O:53][CH3:54])[c:32]([O:31][CH2:30][c:28]3[c:27]([CH3:55])[o:26][c:25](-[c:21]4[o:20][cH:24][cH:23][cH:22]4)[n:29]3)[cH:52][cH:51]2)[n:39][n:40](-[c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[cH:41]1