HRID2134405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID23595245

未命名化合物

结构：C=CC1CC1(NC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(N)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

HCID178435300

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(SC(C)C)(c2ccc(-c3ccccc3)cc2)CN1C(=O)C(NC(=O)OC(C)(C)C(F)(F)F)C(C)(C)C)C(=O)NS(=O)(=O)C1CC1

HCID178435303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8470d3e05ff4c028b03163da4d0702d
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:48]([O:49][c:51]1[cH:52][cH:53][cH:54][cH:55][n:64]1)(=[O:50])[O:56][C:57]([C:58]([F:59])([F:60])[F:61])([CH3:62])[CH3:63].[CH2:74]1[O:75][CH2:76][CH2:77][CH2:78]1.[CH3:79][CH2:80][O:81][C:82]([CH3:83])=[O:84].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[ClH:47].[NH2:1][CH:2]([C:3](=[O:4])[N:5]1[CH:6]([C:26](=[O:27])[NH:28][C:29]2([C:34]([NH:35][S:36](=[O:37])(=[O:38])[CH:39]3[CH2:40][CH2:41]3)=[O:42])[CH:30]([CH:32]=[CH2:33])[CH2:31]2)[CH2:7][C:8]([S:10][CH:11]([CH3:12])[CH3:13])([c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:9]1)[C:43]([CH3:44])([CH3:45])[CH3:46]>>[NH:1]([CH:2]([C:3](=[O:4])[N:5]1[CH:6]([C:26](=[O:27])[NH:28][C:29]2([C:34]([NH:35][S:36](=[O:37])(=[O:38])[CH:39]3[CH2:40][CH2:41]3)=[O:42])[CH:30]([CH:32]=[CH2:33])[CH2:31]2)[CH2:7][C:8]([S:10][CH:11]([CH3:12])[CH3:13])([c:14]2[cH:15][cH:16][c:17](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:18][cH:19]2)[CH2:9]1)[C:43]([CH3:44])([CH3:45])[CH3:46])[C:48](=[O:49])[O:56][C:57]([C:58]([F:59])([F:60])[F:61])([CH3:62])[CH3:63]