HRID837255

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)c1csc(COc2ccn3c(=O)c(C=CC(=O)OC(C)(C)C)c(O)nc3c2)n1

HCID136618853

未命名化合物

结构：CC(C)(C)OC(=O)C=Cc1c(N2CCCC(OC=O)C2)nc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)ccn2c1=O

HCID178450931

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C=Cc1c(N2CCCC(O)C2)nc2cc(C(=O)Nc3nc(C(C)(C)C)cs3)ccn2c1=O

HCID90746462

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-115d2855e65344d293d3bd7fbe8884e3
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[n:37][c:38]([NH:41][C:42](=[O:43])[c:44]2[cH:45][c:46]3[n:47]([c:48](=[O:70])[c:49]([CH:61]=[CH:62][C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[c:50]([N:52]4[CH2:53][CH:54]([O:58][CH:59]=[O:60])[CH2:55][CH2:56][CH2:57]4)[n:51]3)[cH:71][cH:72]2)[s:39][cH:40]1.[OH:1][c:2]1[n:3][c:4]2[cH:5][c:6]([O:7][CH2:8][c:9]3[s:10][cH:11][c:12]([CH:13]([CH3:14])[CH3:15])[n:16]3)[cH:17][cH:18][n:19]2[c:20](=[O:21])[c:22]1[CH:23]=[CH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31]>>[C:32]([CH3:33])([CH3:34])([CH3:35])[c:36]1[n:37][c:38]([NH:41][C:42](=[O:43])[c:44]2[cH:45][c:46]3[n:47]([c:48](=[O:70])[c:49]([CH:61]=[CH:62][C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[c:50]([N:52]4[CH2:53][CH:54]([OH:58])[CH2:55][CH2:56][CH2:57]4)[n:51]3)[cH:71][cH:72]2)[s:39][cH:40]1