HRID137302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

结构：COc1c(C)cnc(Cn2cc(C#CCCOS(=O)(=O)c3ccc(C)cc3)c3c(Cl)nc(N)nc32)c1C

HCID86608232

未命名化合物

PRODUCTS

生成物

结构：C=CC#Cc1cn(Cc2ncc(C)c(OC)c2C)c2nc(N)nc(Cl)c12

HCID57713813

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7995f0b0dacd489eba7c802b6844b483
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

[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][CH2:12][CH2:13][C:14]#[C:15][c:16]2[cH:17][n:18]([CH2:27][c:28]3[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]3[CH3:34])[c:19]3[n:20][c:21]([NH2:26])[n:22][c:23]([Cl:25])[c:24]23)(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:38][OH:39].[Cl:45][CH2:46][Cl:47].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH2:12]=[CH:13][C:14]#[C:15][c:16]1[cH:17][n:18]([CH2:27][c:28]2[n:29][cH:30][c:31]([CH3:37])[c:32]([O:35][CH3:36])[c:33]2[CH3:34])[c:19]2[n:20][c:21]([NH2:26])[n:22][c:23]([Cl:25])[c:24]12