HRID2329903

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID123061

1-(Bromomethyl)-3-(trifluoromethyl)benzene

C8H6BrF3

HCID166653

Hydride

H-

结构：O=C(Nc1cnc2n(c1=O)C(C(=O)O)CC2)OCc1ccccc1

HCID21979611

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CCc2ncc(N(Cc3cccc(C(F)(F)F)c3)C(=O)OCc3ccccc3)c(=O)n21

HCID21979721

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c5f37eefe3c43a795199eea1409410e
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

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