Acetic Acid → HCID 178426469, compound

HRID 675410Notes

Reaction equation

HRID 675410 reaction equation
[BH4-:40].[CH3:36][C:37](=[O:38])[OH:39].[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[C:7](=[O:11])[CH2:6][C:5]2([CH3:12])[CH3:13].[Na+:41].[OH2:24].[c:14]1([CH:20]([NH2:21])[CH2:22][OH:23])[cH:15][cH:16][cH:17][cH:18][cH:19]1.[c:25]1([CH3:26])[cH:27][cH:28][c:29]([S:30]([OH:31])(=[O:32])=[O:33])[cH:34][cH:35]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[CH:7]([NH:21][CH:20]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[CH2:22][OH:23])[CH2:6][C:5]2([CH3:12])[CH3:13]

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 28123BorohydrideHCID 924662-Amino-2-phenylethanolHCID 825700HCID 825700, compound

Product 1

HCID 178426469HCID 178426469, compound

Sources & evidence

ORD record
ord-6196c90ce6584e9dbbe46203adbbc3aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…