HRID2144759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID28123

Tetrahydroborate

H4B-

结构：CN(CC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCCC1Cc2cc(O)ccc2C2C(F)CC3(C)C(=O)CCC3C12

HCID178483616

未命名化合物

PRODUCTS

生成物

HCID178483617

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5718b30ce1b2463e8edcbdbadf93bc55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:55].[CH3:57][OH:58].[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:54])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH2:28][CH:29]=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([F:38])([F:39])[F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])([F:47])[F:48])([F:49])[F:50])([F:51])[F:52])[F:53])[CH:12]2[CH:13]2[CH2:14][CH2:15][C:16](=[O:20])[C:17]2([CH3:18])[CH2:19]1.[Na+:56]>>[F:1][CH:2]1[CH:3]2[c:4]3[cH:5][cH:6][c:7]([OH:54])[cH:8][c:9]3[CH2:10][CH:11]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][N:26]([CH3:27])[CH2:28][CH:29]=[C:30]([C:31]([C:32]([C:33]([C:34]([C:35]([C:36]([C:37]([F:38])([F:39])[F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])([F:47])[F:48])([F:49])[F:50])([F:51])[F:52])[F:53])[CH:12]2[CH:13]2[CH2:14][CH2:15][CH:16]([OH:20])[C:17]2([CH3:18])[CH2:19]1