HRID681620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID70255

1H-Pyrazole, 1-methyl-

C4H6N2

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3Cl)c(C)nc12

HCID57932922

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4ccnn4C)cc3Cl)c(C)nc12

HCID57933002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1bf821c1b00647f394500963a9301945
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

[Br:17][c:18]1[cH:19][c:20]([Cl:39])[c:21](-[c:23]2[c:24]([CH3:38])[n:25][c:26]3[n:27]2[n:28][c:29]([CH3:37])[cH:30][c:31]3[CH:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[s:22]1.[CH2:7]1[O:8][CH2:9][CH2:10][CH2:11]1.[CH3:12][CH2:13][CH2:14][CH2:15][Li:16].[CH3:1][n:2]1[cH:3][cH:4][cH:5][n:6]1.[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45]>>[CH3:1][n:2]1[c:3](-[c:18]2[cH:19][c:20]([Cl:39])[c:21](-[c:23]3[c:24]([CH3:38])[n:25][c:26]4[n:27]3[n:28][c:29]([CH3:37])[cH:30][c:31]4[CH:32]([CH2:33][CH3:34])[CH2:35][CH3:36])[s:22]2)[cH:4][cH:5][n:6]1