HRID2133805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID961

Hydroxide

HO-

2 次

HCID8501

4-Chlorobenzoyl chloride

C7H4Cl2O

HCID105144

Palladium(2+)

Pd+2

结构：CCC(c1nn2cccc2c(=O)n1Cc1ccccc1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID69591887

未命名化合物

HCID178418361

未命名化合物

PRODUCTS

生成物

结构：CCC(c1nn2cccc2c(=O)[nH]1)N(CCCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)cc1

HCID136411691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06fb158c6f9e4a278823bfd51463dd7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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