HRID2322794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11534

Bromoacetonitrile

C2H2BrN

HCID19660

Carbonate

CO3-2

结构：CCc1oc2ccccc2c1C(=O)N(C)Cc1ccc2c(Br)c(O)ccc2c1

HCID86587386

未命名化合物

PRODUCTS

生成物

结构：CCc1oc2ccccc2c1C(=O)N(C)Cc1ccc2c(Br)c(OCC#N)ccc2c1

HCID12083569

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61a78f5f239340d4922152a2f1ae216a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH2:13][N:14]([C:15](=[O:16])[c:17]3[c:18]([CH2:26][CH3:27])[o:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[CH3:28])[cH:7][c:8]2[cH:9][cH:10][c:11]1[OH:12].[Br:29][CH2:30][C:31]#[N:32].[C:33](=[O:34])([O-:35])[O-:36].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[K+:37].[K+:38].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[Br:1][c:2]1[c:3]2[cH:4][cH:5][c:6]([CH2:13][N:14]([C:15](=[O:16])[c:17]3[c:18]([CH2:26][CH3:27])[o:19][c:20]4[c:21]3[cH:22][cH:23][cH:24][cH:25]4)[CH3:28])[cH:7][c:8]2[cH:9][cH:10][c:11]1[O:12][CH2:30][C:31]#[N:32]