Acetic Acid → HCID 23016200, compound

HRID 165588Notes

Reaction equation

HRID 165588 reaction equation
[BH4-:30].[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH:16]=[N:17][c:18]3[c:19]([CH:27]([CH3:28])[CH3:29])[cH:20][cH:21][cH:22][c:23]3[CH:24]([CH3:25])[CH3:26])[cH:12][cH:13][cH:14][cH:15]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][C:41](=[O:42])[OH:43].[Na+:31].[OH2:32]>>[CH3:1][C:2]1=[C:3]([c:10]2[c:11]([CH2:16][NH:17][c:18]3[c:19]([CH:27]([CH3:28])[CH3:29])[cH:20][cH:21][cH:22][c:23]3[CH:24]([CH3:25])[CH3:26])[cH:12][cH:13][cH:14][cH:15]2)[CH:4]([CH3:9])[C:5]([CH3:8])=[C:6]1[CH3:7]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 28123BorohydrideHCID 23015769HCID 23015769, compound

Product 1

HCID 23016200HCID 23016200, compound

Sources & evidence

ORD record
ord-d49f89aeba8c45ce85abdcd3d491ec14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…