HRID1217283

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2777505

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ncccc1-n1cccc12

HCID58551499

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ncccc1-n1c(C(F)(F)F)ccc12

HCID67465074

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c046ea41a7314a8f83a4525f3d99dada
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[F:26][C:27]([s+:28]1[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[c:35]2[cH:36][cH:37][cH:38][cH:39][c:40]12)([F:41])[F:42].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:43].[cH:1]1[cH:2][cH:3][n:4][c:5]2[c:22]1-[n:21]1[c:20]([cH:25][cH:24][cH:23]1)[C:7]1([O:6]2)[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1>>[cH:1]1[cH:2][cH:3][n:4][c:5]2[c:22]1-[n:21]1[c:20]([cH:25][cH:24][c:23]1[C:27]([F:26])([F:41])[F:42])[C:7]1([O:6]2)[CH2:8][CH2:9][N:10]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:11][CH2:12]1