HRID99057

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID10965249

Amino 4-methylbenzenesulfonate

C7H9NO3S

结构：CC1CN(c2ccc3nc(N)c(C#N)c(NCc4ccccc4)c3c2)CC(C)O1

HCID67023496

未命名化合物

PRODUCTS

生成物

HCID85570

Tosylate

C7H7O3S-

结构：CC1CN(c2ccc3c(c2)c(NCc2ccccc2)c(C#N)c(N)[n+]3N)CC(C)O1

HCID86644594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f0d6fb26db944d09a302d8998dcd4f2f
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

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