HRID119238

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

HCID17998719

Ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

C10H10ClN3O2

HCID21081466

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn2ncnc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3)c2c1C

HCID11547946

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7355463c713748478c45e4493282591c
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

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