HRID1564872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID57868854

2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile

C7H10N2O2S

结构：CC(C)(C)C(=O)OCn1ccc2c(-c3cn[nH]c3)ncnc21

HCID57868869

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3ncnc4c3ccn4COC(=O)C(C)(C)C)cn2)C1

HCID66824167

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39902183fbcb4c9ea58d127c0d33fba6
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]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][nH:21][cH:22]1.[CH2:23]([CH3:24])[S:25](=[O:26])(=[O:27])[N:28]1[CH2:29][C:30](=[CH:32][C:33]#[N:34])[CH2:31]1.[CH2:35]1[CH2:36][CH2:37][C:38]2=[N:43][CH2:42][CH2:41][CH2:40][N:39]2[CH2:44][CH2:45]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50]>>[C:1]([C:2]([CH3:3])([CH3:4])[CH3:5])(=[O:6])[O:7][CH2:8][n:9]1[cH:10][cH:11][c:12]2[c:13]1[n:14][cH:15][n:16][c:17]2-[c:18]1[cH:19][n:20][n:21]([C:30]2([CH2:32][C:33]#[N:34])[CH2:29][N:28]([S:25]([CH2:23][CH3:24])(=[O:26])=[O:27])[CH2:31]2)[cH:22]1