HRID2310607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

HCID11575

Benzene, iodo-

C6H5I

HCID19660

Carbonate

CO3-2

HCID3866603

[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]boronic acid

C11H13BO4

HCID66793270

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(C(=C(CC)c2ccccc2)c2ccc3c(cnn3C3CCCCO3)c2)cc1

HCID77191653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-87dd50298d2c437bbc9a495c5deec097
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

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