HRID101269

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

HCID79278

5-Ethylsulphonyl-o-anisidine

C9H13NO3S

反应SMILES：CC(NC(=O)c1cccc(Br)c1)c1cnc(S(C)(=O)=O)nn1

HCID58711953

未命名化合物

PRODUCTS

产物

反应SMILES：CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(C(C)NC(=O)c3cccc(Br)c3)nn2)c1

HCID58712004

3-bromo-N-[1-(3-{[5-(ethylsulfonyl)-2-methoxyphenyl]amino}-1,2,4-triazin-6-yl)ethyl]benzamide

C21H22BrN5O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-184015d2fad748d59d2983333e49bc16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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