HRID2320548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID28123

Tetrahydroborate

H4B-

结构：CCOC(=O)c1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1

HCID22050032

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1Cc1cnc(CO)cn1

HCID22050607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-590314244a9e409891278712888d0b8a
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

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