Acetaldehyde → HCID 42630497, compound

HRID 118501Notes

Reaction equation

HRID 118501 reaction equation
[C:36]([BH3-:37])#[N:38].[CH2:1]1[NH:2][CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][c:12]4[c:13]([CH:22]5[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH2:26][CH2:27]5)[cH:14][nH:15][c:16]4[c:17]([C:19](=[O:20])[NH2:21])[cH:18]3)[cH:7][cH:8][c:9]21.[CH3:40][OH:41].[CH:33]([CH3:34])=[O:35].[Cl-:42].[Cl-:44].[Na+:39].[Zn+2:43]>>[CH2:1]1[N:2]([CH2:33][CH3:34])[CH2:3][c:4]2[cH:5][c:6](-[c:10]3[cH:11][c:12]4[c:13]([CH:22]5[CH2:23][CH2:24][N:25]([S:28](=[O:29])(=[O:30])[CH2:31][CH3:32])[CH2:26][CH2:27]5)[cH:14][nH:15][c:16]4[c:17]([C:19](=[O:20])[NH2:21])[cH:18]3)[cH:7][cH:8][c:9]21

Participants

8

Reactant 7

HCID 177AcetaldehydeHCID 312Chloride2×HCID 887MethanolHCID 923Sodium ionHCID 32051Zinc(2+)HCID 498716Cyano-borohydrideHCID 426304965-(2,3-dihydro-1H-isoindol-5-yl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Product 1

HCID 42630497HCID 42630497, compound

Sources & evidence

ORD record
ord-b1a280d1706f41d7bf3cc53476b75d33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…