HRID1147342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID19660

Carbonate

CO3-2

结构：Cc1cc(COC2CCCCO2)n(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)n1

HCID59322258

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CO)n(-c2nc(Nc3ccc(Cl)cc3)c3ncn(C)c3n2)n1

HCID25017123

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0333d0e3e109449bb8187361ba98b7f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:45](=[O:46])([O-:47])[O-:48].[CH3:51][OH:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:32])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:31])[cH:21][c:22]3[CH2:23][O:24][CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][O:30]3)[n:17]2)[cH:6][cH:7]1.[K+:49].[K+:50].[OH2:33].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([OH:40])(=[O:41])=[O:42])[cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][c:9]2[c:10]3[n:11][cH:12][n:13]([CH3:32])[c:14]3[n:15][c:16](-[n:18]3[n:19][c:20]([CH3:31])[cH:21][c:22]3[CH2:23][OH:24])[n:17]2)[cH:6][cH:7]1