HRID302981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID59703779

未命名化合物

反应SMILES：O=C(NCc1ccc(OC(F)(F)F)cc1)C1CNCCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID72362734

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(NCc1ccc(OC(F)(F)F)cc1)C1CN(c2nc3c(=O)[nH]ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1

HCID178523035

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-295b9b30cb454ba48e82d1540757f1f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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