HRID678906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1390

1-Methylimidazole

C4H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID13819

Silane, chlorotriethyl-

C6H15ClSi

结构：COc1ccc(C(=O)c2ccc3nc(Cl)nc(-c4cccc(Cl)c4)c3c2)cc1

HCID17976109

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COc1ccc(C(O)(c2ccc3nc(Cl)nc(-c4cccc(Cl)c4)c3c2)c2cncn2C)cc1

HCID17976113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a631334fbe84ceda773ce661e8c8030
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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