HRID316433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4ncnn4C)cc3Cl)c(C)nc12

HCID57933044

未命名化合物

HCID178418306

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4nc(C)nn4C)cc3Cl)c(C)nc12

HCID57932912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf4e99cf23f04a848e6ec29c13914355
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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