HRID1535711

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID28486

Lithium ion

Li+

HCID3826051

未命名化合物

HCID16115620

未命名化合物

HCID21082520

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(C=CC(=O)c2ccc(S(=O)(=O)NCCCn3ccnc3)cc2)cc1C#Cc1ccccc1N

HCID69487933

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71da0e610e1e4861b9ebbf37de938fc4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][CH2:14][CH2:15][CH2:16][n:17]2[cH:18][n:19][cH:20][cH:21]2)[cH:8][cH:9]1.[CH3:43][O-:44].[CH3:51][OH:52].[Li+:45].[NH2:22][c:23]1[c:24]([C:29]#[C:30][c:31]2[c:32]([O:41][CH3:42])[cH:33][c:34]([O:39][CH3:40])[c:35]([CH:36]=[O:37])[cH:38]2)[cH:25][cH:26][cH:27][cH:28]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[C:1]([CH:2]=[CH:36][c:35]1[c:34]([O:39][CH3:40])[cH:33][c:32]([O:41][CH3:42])[c:31]([C:30]#[C:29][c:24]2[c:23]([NH2:22])[cH:28][cH:27][cH:26][cH:25]2)[cH:38]1)(=[O:3])[c:4]1[cH:5][cH:6][c:7]([S:10](=[O:11])(=[O:12])[NH:13][CH2:14][CH2:15][CH2:16][n:17]2[cH:18][n:19][cH:20][cH:21]2)[cH:8][cH:9]1