HRID2321193

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID16686348

未命名化合物

反应SMILES：CC(C)(C)OC(=O)CC1(NS(=O)C(C)(C)C)c2cc(Br)ccc2Oc2c1cc(Cl)nc2F

HCID86658360

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)S(=O)NC1(CCO)c2cc(Br)ccc2Oc2c1cc(Cl)nc2F

HCID86658362

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e81cd27c268343388737d8c2d17aa820
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:15]([cH:16][cH:17]1)[O:14][c:7]1[c:6]([cH:11][c:10]([Cl:12])[n:9][c:8]1[F:13])[C:5]2([NH:18][S:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[CH2:34]([Al+:35][CH2:36][CH:37]([CH3:38])[CH3:39])[CH:40]([CH3:41])[CH3:42].[CH2:43]1[O:44][CH2:45][CH2:46][CH2:47]1.[H-:33]>>[Br:1][c:2]1[cH:3][c:4]2[c:15]([cH:16][cH:17]1)[O:14][c:7]1[c:6]([cH:11][c:10]([Cl:12])[n:9][c:8]1[F:13])[C:5]2([NH:18][S:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:25][CH2:26][OH:27]