HRID1545947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6386

tert-Butyl alcohol

C4H10O

HCID13282

Diphenyl phosphate

C12H11O4P

HCID33558

Azide

N3-

HCID84468

Trifluoroacetate

C2F3O2-

结构：CC1CN(C(=O)c2ccc3c(c2)CCN(C)C3)CC1C(=O)O

HCID68590395

未命名化合物

PRODUCTS

生成物

HCID68590342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8819f29dc504d3891533d90cc0f804e
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

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