HRID1226229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID25102228

未命名化合物

HCID86602592

未命名化合物

PRODUCTS

生成物

结构：CNc1ncc(F)c(-c2cccnc2Nc2cc(C(=O)Nc3cccc(C(C)C)c3)ccc2C)n1

HCID58588222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-157c7531d8f548709fee9ee04499f600
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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