HRID1128366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID57688123

未命名化合物

结构：CC(=O)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

HCID60206790

未命名化合物

PRODUCTS

生成物

结构：CC(=NNC(=O)c1ccc(C(=O)NCc2ccccn2)s1)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

HCID76597845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5865e99b3ef44c5bb008d4c8d6874b1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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