HRID1123903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID8071

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(COc2ccc(-c3c(C#N)c(N)nc(OCc4coc(-c5ccc(Cl)cc5)n4)c3C#N)cc2)O1

HCID178431436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0809c6cfadda47c6aab57c957b3b2629
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:55][O:56][CH2:57][CH2:58][O:59][CH3:60].[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[o:15][cH:16][c:17]([CH2:19][OH:20])[n:18]2)[cH:12][cH:13]1.[K+:6].[NH2:21][c:22]1[n:23][c:24]([S:47][c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:25]([C:45]#[N:46])[c:26](-[c:30]2[cH:31][cH:32][c:33]([O:36][CH2:37][CH:38]3[O:39][C:40]([CH3:43])([CH3:44])[O:41][CH2:42]3)[cH:34][cH:35]2)[c:27]1[C:28]#[N:29].[OH2:54]>>[Cl:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[o:15][cH:16][c:17]([CH2:19][O:20][c:24]3[n:23][c:22]([NH2:21])[c:27]([C:28]#[N:29])[c:26](-[c:30]4[cH:31][cH:32][c:33]([O:36][CH2:37][CH:38]5[O:39][C:40]([CH3:43])([CH3:44])[O:41][CH2:42]5)[cH:34][cH:35]4)[c:25]3[C:45]#[N:46])[n:18]2)[cH:12][cH:13]1