HRID666998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID31301

1,2-Dibromotetrafluoroethane

C2Br2F4

结构：CCc1nn2ccccc2c1N(CC1CC1)C(=O)OC(C)(C)C

HCID21084192

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCc1nn2c(Br)cccc2c1N(CC1CC1)C(=O)OC(C)(C)C

HCID21084186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ab917614b0f445abb3778e2bfc9f3da
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

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