HRID1202377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID702

Ethanol

C2H6O

HCID23938

Palladium

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2OCc2ccccc2)nc1

HCID86626824

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCOc1cnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc(C(F)(F)F)ccc2O)nc1

HCID86626825

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5fa78969d4904a50992d631f6a25e1b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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