HRID2132024

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

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID15391523

未命名化合物

HCID15407522

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：Cc1cc(-c2nnn(C)n2)cc(C)c1OCCCC1=CN(C)CS1

HCID22103454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1da9321dabd4c90b6fafdbddbe6204c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:12][N:13]([CH3:14])[P:15]([N:16]([CH3:17])[CH3:18])([N:19]([CH3:20])[CH3:21])=[O:22].[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH3:23][n:24]1[n:25][c:26](-[c:29]2[cH:30][c:31]([CH3:41])[c:32]([O:33][CH2:34][CH2:35][CH2:36][Br:37])[c:38]([CH3:40])[cH:39]2)[n:27][n:28]1.[CH3:6][N:7]1[CH2:8][S:9][CH:10]=[CH:11]1.[Cl-:42].[NH4+:43]>>[CH3:6][N:7]1[CH2:8][S:9][C:10]([CH2:36][CH2:35][CH2:34][O:33][c:32]2[c:31]([CH3:41])[cH:30][c:29](-[c:26]3[n:25][n:24]([CH3:23])[n:28][n:27]3)[cH:39][c:38]2[CH3:40])=[CH:11]1