HRID2344145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID6395

Methanesulfonic acid

CH4O3S

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID88638

Benzimidazolone

C12H15N3O

HCID13457012

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccccc2COc2ccc(CCN3CCC(n4c(=O)[nH]c5ccccc54)CC3)cc21

HCID13477116

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ea501a142df4ab098a260eeece0302e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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