HRID204783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID3806114

未命名化合物

结构：CCOC(=O)C(NS(=O)C(C)(C)C)(c1cc(Br)ccc1OCOC)c1cc(N2CCOCC2)nc(F)c1Cl

HCID178472924

未命名化合物

PRODUCTS

生成物

结构：COCOc1ccc(Br)cc1C(CO)(NS(=O)C(C)(C)C)c1cc(N2CCOCC2)nc(F)c1Cl

HCID178497426

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-84af3a196b304f49bae674a02279de3b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:35][CH2:36][O:37][CH3:38])[c:6]([C:8]([C:9](=[O:10])[O:11][CH2:12][CH3:13])([NH:14][S:15](=[O:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[c:21]2[c:22]([Cl:34])[c:23]([F:33])[n:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)[cH:7]1.[C:48]([CH:49]([CH:50]([C:51]([O-:52])=[O:53])[OH:54])[OH:55])([O-:56])=[O:57].[CH2:66]1[O:67][CH2:68][CH2:69][CH2:70]1.[CH3:39][CH:40]([CH2:41][AlH:42][CH2:43][CH:44]([CH3:45])[CH3:46])[CH3:47].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[K+:59].[Na+:58]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:35][CH2:36][O:37][CH3:38])[c:6]([C:8]([CH2:9][OH:10])([NH:14][S:15](=[O:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[c:21]2[c:22]([Cl:34])[c:23]([F:33])[n:24][c:25]([N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:26]2)[cH:7]1