HRID1124078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6331

Borane

H3B

HCID7061

N,N-Diethylaniline

C10H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID139034

未命名化合物

结构：CC(C)c1cc2c(c(-c3ccc(F)cc3)c1C(F)c1ccc(C(F)(F)F)cc1)C(=O)CC(C)(C)O2

HCID58003013

未命名化合物

PRODUCTS

生成物

HCID178438367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b85f2ed5bb349bba20920f5f133e8a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[BH3:12].[CH2:1]([N:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH3:11].[CH3:59][OH:60].[F:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[c:32]3[c:37]([cH:38][c:39]([CH:53]([CH3:54])[CH3:55])[c:40]2[CH:41]([c:42]2[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]2)[F:52])[O:36][C:35]([CH3:56])([CH3:57])[CH2:34][C:33]3=[O:58])[cH:29][cH:30]1.[NH2:13][CH:14]1[c:15]2[c:16]([cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH:22]1[OH:23].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1>>[F:24][c:25]1[cH:26][cH:27][c:28](-[c:31]2[c:32]3[c:37]([cH:38][c:39]([CH:53]([CH3:54])[CH3:55])[c:40]2[CH:41]([c:42]2[cH:43][cH:44][c:45]([C:48]([F:49])([F:50])[F:51])[cH:46][cH:47]2)[F:52])[O:36][C:35]([CH3:56])([CH3:57])[CH2:34][CH:33]3[OH:58])[cH:29][cH:30]1