Propanal → 4-[3-(2-methoxyethyl)-4-propylpiperazin-1-yl]-2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine

HRID 1234635Notes

Reaction equation

HRID 1234635 reaction equation
[C:1]([O:2][BH-:3]([O:4][C:5](=[O:6])[CH3:7])[O:8][C:9](=[O:10])[CH3:11])(=[O:12])[CH3:13].[CH3:19][O:20][CH2:21][CH2:22][CH:23]1[CH2:24][N:25]([C:29]2=[N:30][c:31]3[c:32]([cH:43][cH:44][cH:45][cH:46]3)[NH:33][c:34]3[s:35][c:36]([C:39]([F:40])([F:41])[F:42])[n:37][c:38]32)[CH2:26][CH2:27][NH:28]1.[CH:15]([CH2:16][CH3:17])=[O:18].[Cl:47][CH:48]([Cl:49])[CH3:50].[Na+:14]>>[CH2:15]([CH2:16][CH3:17])[N:28]1[CH:23]([CH2:22][CH2:21][O:20][CH3:19])[CH2:24][N:25]([C:29]2=[N:30][c:31]3[c:32]([cH:43][cH:44][cH:45][cH:46]3)[NH:33][c:34]3[s:35][c:36]([C:39]([F:40])([F:41])[F:42])[n:37][c:38]32)[CH2:26][CH2:27]1

Participants

6

Reactant 5

HCID 527PropanalHCID 923Sodium ionHCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 136384216HCID 136384216, compound

Product 1

HCID 1363841964-[3-(2-methoxyethyl)-4-propylpiperazin-1-yl]-2-(trifluoromethyl)-10H-[1,3]thiazolo[5,4-b][1,5]benzodiazepine

Sources & evidence

ORD record
ord-43b07fa101d54c44b38ae4cea988afbe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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