HRID121232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13246789

2-Chloro-5-(trifluoromethyl)-1,3,4-thiadiazole

C3ClF3N2S

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)CN2)CC1

HCID178510646

未命名化合物

PRODUCTS

生成物

结构：N#CC1(NC(=O)C2CC(S(=O)(=O)c3ccc(OCC(F)(F)F)cc3C(F)(F)F)CN2c2nnc(C(F)(F)F)s2)CC1

HCID72322092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ad8df47271b4815b06a3ddc6b2c628e
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

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