HRID213299

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID24822808

(3-(Cyclohexyloxy)-4-(methoxycarbonyl)phenyl)boronic acid

C14H19BO5

结构：CC(C)(C)OC(=O)N(CCNc1ccc(I)cc1)CC(O)c1cccc(Cl)c1

HCID178453673

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(-c2ccc(NCCN(CC(O)c3cccc(Cl)c3)C(=O)OC(C)(C)C)cc2)cc1OC1CCCCC1

HCID178497517

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51be466dd2664f71b8238e33a9ccca27
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:57][CH2:58][OH:59].[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH:29]1([O:35][c:36]2[cH:37][c:38]([B:46]([OH:47])[OH:48])[cH:39][cH:40][c:41]2[C:42](=[O:43])[O:44][CH3:45])[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][NH:20][c:21]2[cH:22][cH:23][c:24]([I:27])[cH:25][cH:26]2)[OH:28])[cH:5][cH:6][cH:7]1.[K+:54].[K+:55].[K+:56].[P:49]([O-:50])([O-:51])([O-:52])=[O:53]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]([CH2:9][N:10]([C:11]([O:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[CH2:18][CH2:19][NH:20][c:21]2[cH:22][cH:23][c:24](-[c:38]3[cH:37][c:36]([O:35][CH:29]4[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]4)[c:41]([C:42](=[O:43])[O:44][CH3:45])[cH:40][cH:39]3)[cH:25][cH:26]2)[OH:28])[cH:5][cH:6][cH:7]1