HRID90641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID23938

Palladium

HCID61778

Bisulfate anion

HO4S-

HCID178418361

未命名化合物

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)C(Cc1cc(Cl)c(O)c(Cl)c1)NC(=O)OCc1ccccc1)C(=O)N1CCN(c2ccncc2)CC1

HCID178453407

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCC(NC(=O)C(N)Cc1cc(Cl)c(O)c(Cl)c1)C(=O)N1CCN(c2ccncc2)CC1

HCID178453411

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b9001c7dc4e4296adad26ce33eca4ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:61][OH:62].[H:59][H:60].[K+:58].[Pd:63].[S:53]([O-:54])([OH:55])(=[O:56])=[O:57].[c:1]1([CH2:2][O:3][C:4](=[O:5])[NH:11][CH:12]([CH2:13][c:14]2[cH:15][c:16]([Cl:22])[c:17]([OH:21])[c:18]([Cl:20])[cH:19]2)[C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[C:39](=[O:40])[N:41]2[CH2:42][CH2:43][N:44]([c:47]3[cH:48][cH:49][n:50][cH:51][cH:52]3)[CH2:45][CH2:46]2)[cH:6][cH:7][cH:8][cH:9][cH:10]1>>[NH2:11][CH:12]([CH2:13][c:14]1[cH:15][c:16]([Cl:22])[c:17]([OH:21])[c:18]([Cl:20])[cH:19]1)[C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][CH2:29][CH2:30][NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[C:39](=[O:40])[N:41]1[CH2:42][CH2:43][N:44]([c:47]2[cH:48][cH:49][n:50][cH:51][cH:52]2)[CH2:45][CH2:46]1