Ethanol → HCID 68533922, compound

HRID 194404Notes

Reaction equation

HRID 194404 reaction equation
[C:22]([BH3-:23])#[N:24].[CH2:15]1[CH2:16][CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:27][CH2:28][OH:29].[CH3:30][CH:31]([CH3:32])[O-:33].[CH3:35][CH:36]([CH3:37])[O-:38].[CH3:39][CH:40]([CH3:41])[O-:42].[CH3:43][CH:44]([CH3:45])[O-:46].[Na+:25].[O:1]=[C:2]1[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1.[OH2:26].[Ti+4:34]>>[CH:2]1([N:19]2[CH2:18][CH2:17][CH2:16][CH2:15][CH2:21][CH2:20]2)[CH2:3][CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 702EthanolHCID 923Sodium ionHCID 962WaterHCID 8119AzepaneHCID 114942Titanium cation (4+)HCID 498716Cyano-borohydrideHCID 735900tert-Butyl 4-oxopiperidine-1-carboxylateHCID 3260420Isopropanolate4×

Product 1

HCID 68533922HCID 68533922, compound

Sources & evidence

ORD record
ord-8cd2ecd7b2f94e8f95b2defd2c65a449
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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