HRID291418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID28123

Tetrahydroborate

H4B-

结构：COC(=O)c1ccc2c(N=CC(O)(CC(C)(C)c3cc(F)ccc3OC)C(F)(F)F)cccc2n1

HCID69205839

未命名化合物

PRODUCTS

生成物

HCID20786231

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a0e0afd373404affb6e8e62d0a5a8c9d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:36].[C:38]([O:39][CH2:40][CH3:41])(=[O:42])[CH3:43].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([N:15]=[CH:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([F:28])[cH:27]3)([C:31]([F:32])([F:33])[F:34])[OH:35])[c:12]2[cH:13][cH:14]1.[CH3:44][CH2:45][CH2:46][CH2:47][CH2:48][CH3:49].[CH3:50][OH:51].[Na+:37]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]2[cH:8][cH:9][cH:10][c:11]([NH:15][CH2:16][C:17]([CH2:18][C:19]([CH3:20])([CH3:21])[c:22]3[c:23]([O:29][CH3:30])[cH:24][cH:25][c:26]([F:28])[cH:27]3)([C:31]([F:32])([F:33])[F:34])[OH:35])[c:12]2[cH:13][cH:14]1