HRID699814

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID9864

Cyanamide

CH2N2

结构：COc1ccc(C(F)(F)F)cc1C(=S)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCC1

HCID86623443

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(F)(F)F)cc1C(=NC#N)N=c1sc(C(C)(C)C)cn1CC1(OC(C)=O)CCC1

HCID86623442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fb02fc44c2e4d96a23694688b30b8a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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