HRID115542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID87681

Hydrazinium

H5N2+

HCID17841554

未命名化合物

结构：Fc1cc(OC(F)(F)c2c(F)cc(Br)cc2F)ccc1-c1cc(F)c(C(F)(F)F)c(F)c1

HCID58471583

未命名化合物

PRODUCTS

生成物

结构：CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3ccc(-c4cc(F)c(C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1

HCID58471577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a4a1f7b4a14446bb8bc027006791b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([F:45])[c:18]([C:22]([O:23][c:24]2[cH:25][c:26]([F:42])[c:27](-[c:30]3[cH:31][c:32]([F:41])[c:33]([C:37]([F:38])([F:39])[F:40])[c:34]([F:36])[cH:35]3)[cH:28][cH:29]2)([F:43])[F:44])[c:19]([F:21])[cH:20]1.[C:55]([O:56][CH3:57])([CH3:58])([CH3:59])[CH3:60].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[F:1][c:2]1[c:3]([B:11]([OH:12])[OH:13])[cH:4][cH:5][c:6]([CH2:8][CH2:9][CH3:10])[cH:7]1.[NH3+:47][NH2:48].[OH-:46].[OH2:54]>>[F:1][c:2]1[c:3](-[c:15]2[cH:16][c:17]([F:45])[c:18]([C:22]([O:23][c:24]3[cH:25][c:26]([F:42])[c:27](-[c:30]4[cH:31][c:32]([F:41])[c:33]([C:37]([F:38])([F:39])[F:40])[c:34]([F:36])[cH:35]4)[cH:28][cH:29]3)([F:43])[F:44])[c:19]([F:21])[cH:20]2)[cH:4][cH:5][c:6]([CH2:8][CH2:9][CH3:10])[cH:7]1