HRID149748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID17989189

未命名化合物

HCID17989288

未命名化合物

PRODUCTS

生成物

结构：COc1c(F)cccc1C(C)CC(O)(C=Nc1ccc(F)c2[nH]c(=O)ccc12)C(F)(F)F

HCID178493642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d6e6717111e44fb9e7bba040fbc391b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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