HRID1218266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

HCID32484

2,6-Diisopropylaniline

C12H19N

结构：CC(C)(C)OC(=O)N(Cc1ccccc1-c1cccc(C=O)n1)c1ccccc1

HCID58434438

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cccc(C(C)C)c1N=Cc1cccc(-c2ccccc2CN(C(=O)OC(C)(C)C)c2ccccc2)n1

HCID58434441

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59f7faab1bde46fab7c0d7beab2b0485
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][cH:28][cH:29]2)[n:8]1.[CH:30]([CH3:31])([CH3:32])[c:33]1[c:34]([NH2:35])[c:36]([CH:40]([CH3:41])[CH3:42])[cH:37][cH:38][cH:39]1.[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH2:43].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[CH:1]([c:3]1[cH:4][cH:5][cH:6][c:7](-[c:9]2[c:10]([CH2:11][N:12]([C:13]([O:14][C:15]([CH3:16])([CH3:17])[CH3:18])=[O:19])[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][cH:28][cH:29]2)[n:8]1)=[N:35][c:34]1[c:33]([CH:30]([CH3:31])[CH3:32])[cH:39][cH:38][cH:37][c:36]1[CH:40]([CH3:41])[CH3:42]