HRID1565843

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID3826051

未命名化合物

HCID5360545

Sodium

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2cc(F)c(I)cc2n1Cc1ccccc1

HCID69228284

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1F)c(C(=O)NCc1ccc(F)c(F)c1)c(C(C)C)n2Cc1ccccc1

HCID59762370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c7f6ea6c9b94d4d8b47026b6307d302
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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