HRID1557932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：Cc1sc(-c2ccccc2)nc1COc1cc(COc2ncccc2C#N)on1

HCID68885974

未命名化合物

PRODUCTS

生成物

结构：Cc1sc(-c2ccccc2)nc1COc1cc(COc2ncccc2C=O)on1

HCID86591566

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f60ad96c20d4f4097308916fb28d693
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

[CH2:38]([Al+:39][CH2:40][CH:41]([CH3:42])[CH3:43])[CH:44]([CH3:45])[CH3:46].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][o:17][c:18]([CH2:20][O:21][c:22]3[c:23]([C:24]#[N:25])[cH:26][cH:27][cH:28][n:29]3)[cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:55][CH2:56][CH2:57][CH2:58][CH2:59][CH3:60].[Cl-:47].[H-:37].[NH4+:48]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[n:16][o:17][c:18]([CH2:20][O:21][c:22]3[c:23]([CH:24]=[O:51])[cH:26][cH:27][cH:28][n:29]3)[cH:19]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[s:6]1