HRID2337887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID15015265

2-Butyl-7-methyl-1H-imidazo[4,5-b]pyridine

C11H15N3

结构：CCOC(=O)c1cc(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)n(-c2ccc(COS(C)(=O)=O)cc2)c1

HCID19759324

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc2c(C)ccnc2n1Cc1ccc(-n2cc(C(=O)OCC)cc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19759257

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26ff22c4e2a342cc9939c7e11430697a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:17]([CH3:18])[O:19][C:20](=[O:21])[c:22]1[cH:23][c:24](-[c:39]2[n:40][n:41][n:42][n:43]2[C:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[n:25](-[c:27]2[cH:28][cH:29][c:30]([CH2:33][O:34][S:35]([CH3:36])(=[O:37])=[O:38])[cH:31][cH:32]2)[cH:26]1.[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[nH:8][c:9]2[c:10]([n:11][cH:12][cH:13][c:14]2[CH3:15])[n:16]1.[CH3:63][S:64](=[O:65])[CH3:66].[H-:1].[Na+:2]>>[CH2:3]([CH2:4][CH2:5][CH3:6])[c:7]1[n:8][c:9]2[c:10]([n:11][cH:12][cH:13][c:14]2[CH3:15])[n:16]1[CH2:33][c:30]1[cH:29][cH:28][c:27](-[n:25]2[c:24](-[c:39]3[n:40][n:41][n:42][n:43]3[C:44]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[c:57]3[cH:58][cH:59][cH:60][cH:61][cH:62]3)[cH:23][c:22]([C:20]([O:19][CH2:17][CH3:18])=[O:21])[cH:26]2)[cH:32][cH:31]1