HRID163197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID117326

1-Propanol, 3-amino-2,2-dimethyl-

C5H13NO

结构：NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(C(=O)Oc4c(F)c(F)c(F)c(F)c4F)cc32)cc1

HCID178514750

未命名化合物

PRODUCTS

生成物

结构：CC(C)(CO)CNC(=O)c1ccc2c(c1)C(=NNc1ccc(S(N)(=O)=O)cc1)C(=O)N2

HCID178450602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-26d4b71c0c304260a3f056df53e49cf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[F:1][c:2]1[c:3]([O:4][C:9](=[O:10])[c:11]2[cH:12][c:13]3[c:17]([cH:18][cH:19]2)[NH:16][C:15](=[O:20])[C:14]3=[N:21][NH:22][c:23]2[cH:24][cH:25][c:26]([S:29]([NH2:30])(=[O:31])=[O:32])[cH:27][cH:28]2)[c:5]([F:6])[c:7]([F:8])[c:33]([F:34])[c:35]1[F:36].[OH:37][CH2:38][C:39]([CH2:40][NH2:41])([CH3:42])[CH3:43]>>[C:9](=[O:10])([c:11]1[cH:12][c:13]2[c:17]([cH:18][cH:19]1)[NH:16][C:15](=[O:20])[C:14]2=[N:21][NH:22][c:23]1[cH:24][cH:25][c:26]([S:29]([NH2:30])(=[O:31])=[O:32])[cH:27][cH:28]1)[NH:41][CH2:40][C:39]([CH2:38][OH:37])([CH3:42])[CH3:43]