HRID1562011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID9886

Hexafluorophosphate ion

F6P-

HCID72656

3-Aminopyrazine-2-carboxylic acid

C5H5N3O2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(NC(=O)OC(C)(C)C)c1nnc2ccc(Nc3cccc(Cl)c3)nn12

HCID72270922

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)c1nccnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12

HCID178464957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-43a7d18b63ee4f81ac07d7be67c1ea6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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