HRID180802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID96039

N,N-Bis(2-chloroethyl)-p-toluenesulphonamide

C11H15Cl2NO2S

结构：COC(=O)C(N)Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID20726779

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1

HCID20872875

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-57333d9b43be4838bbbbf943f59f5ad8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:58][C:59]#[N:60].[CH:49]([N:50]([CH:51]([CH3:52])[CH3:53])[CH2:54][CH3:55])([CH3:56])[CH3:57].[Cl:32][CH2:33][CH2:34][N:35]([S:36](=[O:37])(=[O:38])[c:39]1[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]1)[CH2:46][CH2:47][Cl:48].[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:7][c:8]1[n:9][cH:10][n:11]([C:13]([c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:12]1>>[N:1]1([CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:7][c:8]2[n:9][cH:10][n:11]([C:13]([c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[cH:12]2)[CH2:33][CH2:34][N:35]([S:36](=[O:37])(=[O:38])[c:39]2[cH:40][cH:41][c:42]([CH3:45])[cH:43][cH:44]2)[CH2:46][CH2:47]1