HRID1567980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccccc4)ccc3Sc3ccc(NC(=O)OC(C)(C)C)cc3)ncnc2n1

HCID67040381

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccc2c(Nc3cc(C(=O)NC(C)c4ccccc4)ccc3Sc3ccc(N)cc3)ncnc2n1

HCID67040355

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e80c29384e44e648312b237b70c85c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[cH:9][cH:10][c:11]([S:14][c:15]2[c:16]([NH:32][c:33]3[c:34]4[c:35]([n:36][cH:37][n:38]3)[n:39][c:40]([CH:43]([CH3:44])[CH3:45])[cH:41][cH:42]4)[cH:17][c:18]([C:21]([NH:22][CH:23]([CH3:24])[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:19][cH:20]2)[cH:12][cH:13]1)([CH3:5])([CH3:6])[CH3:46].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[Cl:66][CH2:67][Cl:68].[K+:60].[K+:61].[O-:62][C:63]([O-:64])=[O:65].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[NH2:7][c:8]1[cH:9][cH:10][c:11]([S:14][c:15]2[c:16]([NH:32][c:33]3[c:34]4[c:35]([n:36][cH:37][n:38]3)[n:39][c:40]([CH:43]([CH3:44])[CH3:45])[cH:41][cH:42]4)[cH:17][c:18]([C:21]([NH:22][CH:23]([CH3:24])[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)=[O:31])[cH:19][cH:20]2)[cH:12][cH:13]1