HRID301420

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID5333

Sulfanilamide

C6H8N2O2S

HCID4574913

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(Oc2c(Br)ccc3cnc(Cl)nc23)CC1

HCID59199246

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2c(Br)ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc23)CC1

HCID59199265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-400a5c6b337d41c99ab9cf693f8e2b30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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