HRID151092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

HCID80228

未命名化合物

结构：COc1ccc(N2CC3(CCC3)Cc3cc(O)c(C)c(C)c32)cc1

HCID69055548

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(N2CC3(CCC3)Cc3c(CC=C(C)CCC=C(C)C)c(O)c(C)c(C)c32)cc1

HCID69054625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a132ccb670744b35974c40b25620ca54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:40]([OH:41])([CH3:42])([CH3:43])[CH3:44].[CH2:27]([CH:28]=[C:29]([CH3:30])[CH2:31][CH2:32][CH:33]=[C:34]([CH3:35])[CH3:36])[Br:37].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][C:11]3([CH2:12][CH2:13][CH2:14]3)[CH2:15][c:16]3[cH:17][c:18]([OH:24])[c:19]([CH3:23])[c:20]([CH3:22])[c:21]32)[cH:7][cH:8]1.[Cl-:38].[NH4+:39].[Na+:26].[OH-:25]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([N:9]2[CH2:10][C:11]3([CH2:12][CH2:13][CH2:14]3)[CH2:15][c:16]3[c:17]([CH2:27][CH:28]=[C:29]([CH3:30])[CH2:31][CH2:32][CH:33]=[C:34]([CH3:35])[CH3:36])[c:18]([OH:24])[c:19]([CH3:23])[c:20]([CH3:22])[c:21]32)[cH:7][cH:8]1