HRID155292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1049

Pyridine

C5H5N

HCID8471

Triethylamine

C6H15N

HCID24682

Sulfur trioxide

O3S

结构：CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C2CCC(OCC3(CO)CCC3)CC2)c2ncnn12

HCID67009296

未命名化合物

PRODUCTS

生成物

HCID86644034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a278674e9644ce4b858307efc51feb6
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

[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:61][S:62](=[O:63])[CH3:64].[ClH:60].[OH:1][CH2:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1.[S:56](=[O:57])(=[O:58])=[O:59].[n:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1>>[O:1]=[CH:2][C:3]1([CH2:7][O:8][CH:9]2[CH2:10][CH2:11][CH:12]([n:15]3[c:16]4[n:17]([c:18]([CH2:37][CH2:38][CH3:39])[c:19]([CH2:22][c:23]5[cH:24][cH:25][c:26](-[c:29]6[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]6)[cH:27][cH:28]5)[c:20]3=[O:21])[n:40][cH:41][n:42]4)[CH2:13][CH2:14]2)[CH2:4][CH2:5][CH2:6]1