HRID202818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：c1ccc(-c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1

HCID10221769

未命名化合物

结构：CCOc1cc(C=O)c(F)c(O[Si](C)(C)C(C)(C)C)c1

HCID18003374

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCOc1cc(O[Si](C)(C)C(C)(C)C)c(F)c(C(O)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

HCID68815621

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32b5f2c29da8414cbee5fc46c4ab42bf
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

[C:36]([CH3:37])([CH3:38])([CH3:39])[Si:40]([O:41][c:42]1[c:43]([F:53])[c:44]([CH:45]=[O:46])[cH:47][c:48]([O:50][CH2:51][CH3:52])[cH:49]1)([CH3:54])[CH3:55].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:31][CH2:32][CH2:33][CH2:34][Li:35].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[Cl-:56].[NH4+:57].[c:1]1(-[c:7]2[n:8][cH:9][n:10]([C:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([CH:45]([c:44]3[c:43]([F:53])[c:42]([O:41][Si:40]([C:36]([CH3:37])([CH3:38])[CH3:39])([CH3:54])[CH3:55])[cH:49][c:48]([O:50][CH2:51][CH3:52])[cH:47]3)[OH:46])[n:10]([C:12]([c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)([c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[cH:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1