HRID1126178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID23655105

未命名化合物

结构：COc1cc(C(Cc2ccccc2)=NS(=O)C(C)(C)C)ccc1F

HCID72291135

未命名化合物

HCID178418339

Butyllithium

C4H9Li

HCID178506746

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(Cc2ccccc2)(NS(=O)C(C)(C)C)c2cc(F)cc(OC(F)(F)C(F)F)c2)ccc1F

HCID72290938

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb9ece50195b4a17899d3d59b74bd29d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([F:15])[cH:5][c:6]([O:8][C:9]([CH:10]([F:11])[F:12])([F:13])[F:14])[cH:7]1.[CH3:16][CH2:17][CH2:18][CH2:19][Li:20].[CH3:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[F:21][c:22]1[c:23]([O:43][CH3:44])[cH:24][c:25]([C:28]([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)=[N:36][S:37](=[O:38])[C:39]([CH3:40])([CH3:41])[CH3:42])[cH:26][cH:27]1.[F:45][c:46]1[cH:47][c:48]([Li:49])[cH:50][c:51]([O:52][C:53]([F:54])([F:55])[CH:56]([F:57])[F:58])[cH:59]1>>[c:2]1([C:28]([c:25]2[cH:24][c:23]([O:43][CH3:44])[c:22]([F:21])[cH:27][cH:26]2)([CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[NH:36][S:37](=[O:38])[C:39]([CH3:40])([CH3:41])[CH3:42])[cH:3][c:4]([F:15])[cH:5][c:6]([O:8][C:9]([CH:10]([F:11])[F:12])([F:13])[F:14])[cH:7]1