Acetic Acid → HCID 178489430, compound

HRID 1118471Notes

Reaction equation

HRID 1118471 reaction equation
[BH4-:1].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][CH2:51][OH:52].[Na+:2].[c:3]1([C:9]2([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:10][CH2:11][C:12]([OH:31])([c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[CH:13]3[CH2:14][N:15]([C:18]([C:19]([c:20]4[cH:21][nH:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]45)=[O:29])=[O:30])[CH2:16][CH:17]23)[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([C:9]2([c:40]3[cH:41][cH:42][cH:43][cH:44][cH:45]3)[CH2:10][CH2:11][C:12]([OH:31])([c:32]3[c:33]([O:38][CH3:39])[cH:34][cH:35][cH:36][cH:37]3)[CH:13]3[CH2:14][N:15]([C:18]([CH:19]([c:20]4[cH:21][nH:22][c:23]5[cH:24][cH:25][cH:26][cH:27][c:28]45)[OH:29])=[O:30])[CH2:16][CH:17]23)[cH:4][cH:5][cH:6][cH:7][cH:8]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 28123BorohydrideHCID 178489429HCID 178489429, compound

Product 1

HCID 178489430HCID 178489430, compound

Sources & evidence

ORD record
ord-2f6808639256402c9087d4dcbee3a0ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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