HRID2321380

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1390

1-Methylimidazole

C4H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID13819

Silane, chlorotriethyl-

C6H15ClSi

结构：O=C(c1ccc(F)cc1)c1ccc2nc(Cl)nc(-c3cccc(Cl)c3)c2c1

HCID17976100

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cn1cncc1C(O)(c1ccc(F)cc1)c1ccc2nc(Cl)nc(-c3cccc(Cl)c3)c2c1

HCID17976103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db883b7828e24afca1ad36a4bebc9d20
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

[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:12][n:13]1[cH:14][cH:15][n:16][cH:17]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:58][CH2:59][O:60][C:61]([CH3:62])=[O:63].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11].[Cl:18][Si:19]([CH2:20][CH3:21])([CH2:22][CH3:23])[CH2:24][CH3:25].[Cl:26][c:27]1[n:28][c:29]2[cH:30][cH:31][c:32]([C:44](=[O:45])[c:46]3[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]3)[cH:33][c:34]2[c:35](-[c:37]2[cH:38][c:39]([Cl:43])[cH:40][cH:41][cH:42]2)[n:36]1.[OH2:64]>>[CH3:12][n:13]1[c:14]([C:44]([c:32]2[cH:31][cH:30][c:29]3[n:28][c:27]([Cl:26])[n:36][c:35](-[c:37]4[cH:38][c:39]([Cl:43])[cH:40][cH:41][cH:42]4)[c:34]3[cH:33]2)([OH:45])[c:46]2[cH:47][cH:48][c:49]([F:52])[cH:50][cH:51]2)[cH:15][n:16][cH:17]1