HRID296650

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID28123

Tetrahydroborate

H4B-

HCID114942

Titanium(4+)

Ti+4

HCID401882

ethyl 3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

C10H15NO3

HCID3260420

未命名化合物

4 次

结构：CC(C)(C)OC(=O)N1Cc2ccccc2C2(CCNCC2)C1

HCID49760902

tert-Butyl 1H-spiro[isoquinoline-4,4'-piperidine]-2(3H)-carboxylate

C18H26N2O2

PRODUCTS

生成物

结构：CCOC(=O)N1C2CCC1CC(N1CCC3(CC1)CN(C(=O)OC(C)(C)C)Cc1ccccc13)C2

HCID58089822

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a2ae268884249eebf7cc79ca2f9b747
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:44].[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[CH3:51][OH:52].[CH3:53][CH:54]([CH3:55])[O-:56].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][CH:62]([CH3:63])[O-:64].[CH3:65][CH:66]([CH3:67])[O-:68].[Cl:48][CH2:49][Cl:50].[NH:1]1[CH2:2][CH2:3][C:4]2([CH2:5][N:6]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:21][CH2:22]1.[Na+:45].[Na+:47].[O:23]=[C:24]1[CH2:25][CH:26]2[CH2:27][CH2:28][CH:29]([CH2:30]1)[N:31]2[C:32](=[O:33])[O:34][CH2:35][CH3:36].[OH-:46].[Ti+4:69]>>[N:1]1([CH:24]2[CH2:25][CH:26]3[CH2:27][CH2:28][CH:29]([CH2:30]2)[N:31]3[C:32](=[O:33])[O:34][CH2:35][CH3:36])[CH2:2][CH2:3][C:4]2([CH2:5][N:6]([C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:7][c:8]3[cH:9][cH:10][cH:11][cH:12][c:13]32)[CH2:21][CH2:22]1