HRID144455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID6386

tert-Butyl alcohol

C4H10O

HCID4574913

未命名化合物

结构：CN(c1cccnc1)c1ncccc1CC(c1cccnc1)c1cccnc1

HCID16662313

未命名化合物

PRODUCTS

生成物

结构：CN(c1cccnc1)c1ncccc1CC(O)(c1cccnc1)c1cccnc1

HCID57867800

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc3523394e514e27aaca9f5e8eb96f19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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