HRID90345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID114942

Titanium(4+)

Ti+4

HCID2724942

未命名化合物

HCID3260420

未命名化合物

4 次

HCID24820512

tert-Butyl 2,7-diazaspiro[3.5]nonane-7-carboxylate

C12H22N2O2

HCID58438479

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC2(CC1)CN(C1CCc3cc(-c4ncccn4)ccc31)C2

HCID77287501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f5f39948bdb4887ba6fdbd8cf287502
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

[C:41]([O:42][BH-:43]([O:44][C:45](=[O:46])[CH3:47])[O:48][C:49](=[O:50])[CH3:51])(=[O:52])[CH3:53].[CH2:2]1[NH:3][CH2:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:58][CH:59]([CH3:60])[O-:61].[CH3:63][CH:64]([CH3:65])[O-:66].[CH3:67][CH:68]([CH3:69])[O-:70].[CH3:71][CH:72]([CH3:73])[O-:74].[Cl:55][CH2:56][Cl:57].[ClH:1].[Na+:54].[Ti+4:62].[n:18]1[c:19](-[c:24]2[cH:25][c:26]3[c:30]([cH:31][cH:32]2)[C:29](=[O:33])[CH2:28][CH2:27]3)[n:20][cH:21][cH:22][cH:23]1>>[CH2:2]1[N:3]([CH:29]2[CH2:28][CH2:27][c:26]3[cH:25][c:24](-[c:19]4[n:18][cH:23][cH:22][cH:21][n:20]4)[cH:32][cH:31][c:30]32)[CH2:4][C:5]12[CH2:6][CH2:7][N:8]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:9][CH2:10]2