HRID1549160

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID6214

Hexachloroethane

C2Cl6

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID68983

Trimethyl phosphine

C3H9P

HCID57415845

tert-Butyl 3,3-difluoro-4,4-dihydroxypiperidine-1-carboxylate

C10H17F2NO4

HCID67341554

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2nc3c(-c4ccc(F)c(F)c4F)cccn3n2)C(F)(F)C1

HCID67342863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0be3ff83b9e1467a82a9ff145336f275
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][P:36]([CH3:37])[CH3:38].[CH3:66][OH:67].[Cl:20][C:21]([C:22]([Cl:23])([Cl:24])[Cl:25])([Cl:26])[Cl:27].[F:1][c:2]1[c:3](-[c:10]2[c:11]3[n:12]([cH:13][cH:14][cH:15]2)[n:16][c:17]([NH2:19])[n:18]3)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8].[F:39][C:40]1([F:55])[CH2:41][N:42]([C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:43][CH2:44][C:45]1([OH:46])[OH:47].[Na+:60].[O-:56][C:57]([OH:58])=[O:59]>>[F:1][c:2]1[c:3](-[c:10]2[c:11]3[n:12]([cH:13][cH:14][cH:15]2)[n:16][c:17]([NH:19][CH:45]2[C:40]([F:39])([F:55])[CH2:41][N:42]([C:48](=[O:49])[O:50][C:51]([CH3:52])([CH3:53])[CH3:54])[CH2:43][CH2:44]2)[n:18]3)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8]