HRID935110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

结构：CCC(O)(CC)c1cccc2nc(Cc3c(C)cc(C)cc3C)n(C)c12

HCID24986430

未命名化合物

PRODUCTS

生成物

结构：CC=C(CC)c1cccc2nc(Cc3c(C)cc(C)cc3C)n(C)c12

HCID67438940

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-106a279513444b42b881d139e98b92c4
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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