HRID2326844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(OS(=O)(=O)C(F)(F)F)c(F)cc2c1=O

HCID15636880

未命名化合物

HCID17890950

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cn(C2CC2)c2c(F)c(C#Cc3cc(Cc4cnc(N)nc4N)cc(OC)c3OC)c(F)cc2c1=O

HCID19081771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a9dd11d4c1645ee84b2f00782fb4bfa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](#[CH:2])[c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([O:20][CH3:21])[c:17]1[O:18][CH3:19].[CH3:52][CH2:53][N:54]([CH2:55][CH3:56])[CH2:57][CH3:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:22]1([n:25]2[cH:26][c:27]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[c:28](=[O:45])[c:29]3[cH:30][c:31]([F:44])[c:32]([O:36][S:37]([C:38]([F:39])([F:40])[F:41])(=[O:42])=[O:43])[c:33]([F:35])[c:34]23)[CH2:23][CH2:24]1.[OH2:51]>>[C:1](#[C:2][c:32]1[c:31]([F:44])[cH:30][c:29]2[c:28](=[O:45])[c:27]([C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:26][n:25]([CH:22]3[CH2:23][CH2:24]3)[c:34]2[c:33]1[F:35])[c:3]1[cH:4][c:5]([CH2:6][c:7]2[c:8]([NH2:14])[n:9][c:10]([NH2:13])[n:11][cH:12]2)[cH:15][c:16]([O:20][CH3:21])[c:17]1[O:18][CH3:19]