HRID1553936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10928

Ethyl chloroformate

C3H5ClO2

HCID2773390

4-Iodo-N,N-dimethyl-1H-imidazole-1-sulfonamide

C5H8IN3O2S

HCID11806387

未命名化合物

结构：CC(=Cc1cn(S(=O)(=O)N(C)C)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID53657150

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nc(C=C(C)c2cc3c(cc2C)C(C)(C)CCC3(C)C)cn1S(=O)(=O)N(C)C

HCID54454046

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8d0194d44b14deb95c6d3991d0dcbe0
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

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