HRID937590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID934

Nickel cation

Ni+2

HCID962

Water

H2O

4 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID15147

Benzene, 1,2,3-trifluoro-

C6H3F3

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)n1cc(-c2cc(F)c(F)c(F)c2)c2ccc([N+](=O)[O-])cc21

HCID57442199

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1cc(-c2cc(F)c(F)c(F)c2)c2ccc(N)cc21

HCID57442193

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d1b617e131804fd7a685d796bdadf4f7
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[BH4-:39].[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:60][OH:61].[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6](-[c:16]2[cH:17][c:18]([F:24])[c:19]([F:23])[c:20]([F:22])[cH:21]2)[c:7]2[cH:8][cH:9][c:10]([N+:13]([O-:14])=[O:15])[cH:11][c:12]12.[F:25][c:26]1[cH:27][cH:28][cH:29][c:30]([F:31])[c:32]1[F:33].[Na+:40].[Ni+2:55].[O:34]1[CH2:35][CH2:36][CH2:37][CH2:38]1.[OH2:47].[OH2:48].[OH2:49].[OH2:50]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[cH:5][c:6](-[c:16]2[cH:17][c:18]([F:24])[c:19]([F:23])[c:20]([F:22])[cH:21]2)[c:7]2[cH:8][cH:9][c:10]([NH2:13])[cH:11][c:12]12