HRID2329038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID66968982

未命名化合物

HCID86615323

未命名化合物

PRODUCTS

生成物

结构：CCc1ncc2c(N=CC(O)(CC(CC)c3cccc(F)c3OC)C(F)(F)F)cccc2n1

HCID66969467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97765650f6aa4694b4cff0a88ebe2c8b
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

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