HRID2162758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CC=O)ccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1

HCID178492864

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)N2C(=O)C(c3cc(CCN(C)C)ccc3OC)(N3CC(O)CC3C(=O)N(C)C)c3cc(Cl)ccc32)c(OC(F)(F)F)c1

HCID178492863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f283255d4caf4bf89e4cb9616fe78145
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

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