HRID86999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID74571

4-(Chloromethyl)pyridine

C6H6ClN

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)N1CC2CC(CN(CCCC(O)c3ccc(C#N)cc3)C2)C1

HCID11338532

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC(CN(CCCC(OCc3ccncc3)c3ccc(C#N)cc3)C2)C1

HCID9935321

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de7c584ca96425ea14799d67bdf6e71
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:7](#[N:8])[c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH:21]3[CH2:22][N:23]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:24][CH:25]([CH2:26]2)[CH2:27]3)[OH:35])[cH:13][cH:14]1.[CH3:3][S:4]([CH3:5])=[O:6].[H-:2].[Na+:1].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49].[n:36]1[cH:37][cH:38][c:39]([CH2:42][Cl:43])[cH:40][cH:41]1>>[C:7](#[N:8])[c:9]1[cH:10][cH:11][c:12]([CH:15]([CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH:21]3[CH2:22][N:23]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:24][CH:25]([CH2:26]2)[CH2:27]3)[O:35][CH2:42][c:39]2[cH:38][cH:37][n:36][cH:41][cH:40]2)[cH:13][cH:14]1