Acetic Acid → HCID 21839755, compound

HRID 2148272Notes

Reaction equation

HRID 2148272 reaction equation
[C:39]([BH3-:40])#[N:41].[C:46](=[O:47])([OH:48])[O-:49].[CH3:24][S:25](=[O:26])[c:27]1[c:28]([CH:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[cH:29][cH:30][cH:31][cH:32]1.[CH3:44][OH:45].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[CH3:58][C:59](=[O:60])[OH:61].[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][CH:11]=[O:12])[CH:13]2[N:14]([CH3:23])[C:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:5][cH:6][c:7]1[Cl:8].[ClH:43].[Na+:42].[Na+:50]>>[Cl:1][c:2]1[cH:3][c:4]([CH:9]([CH2:10][CH2:11][N:36]2[CH2:35][CH2:34][CH:33]([c:28]3[c:27]([S:25]([CH3:24])=[O:26])[cH:32][cH:31][cH:30][cH:29]3)[CH2:38][CH2:37]2)[CH:13]2[N:14]([CH3:23])[C:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[cH:5][cH:6][c:7]1[Cl:8]

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 8471TriethylamineHCID 498716Cyano-borohydrideHCID 187003874-(2-(Methylsulfinyl)phenyl)piperidineHCID 218397793-(3,4-dichlorophenyl)-3-(2-methyl-3-oxo-2,3-dihydro-1H-isoindol-1-yl)propionaldehyde

Product 1

HCID 21839755HCID 21839755, compound

Sources & evidence

ORD record
ord-c90b120d87894c6da335ee4517725898
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…