HRID683475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CCOC(=O)C(C)(NC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1)c1ccccc1

HCID67040905

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C)(NC(=O)c1ccc(Sc2ccc(N)cc2)c(Nc2ncnc3nc(C(C)C)ccc23)c1)c1ccccc1

HCID67041064

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb8878478c8f424e9fbbca9ea0e65644
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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