Acetic Acid → HCID 14677300, compound

HRID 2343372Notes

Reaction equation

HRID 2343372 reaction equation
[BH4-:28].[CH3:30][C:31](=[O:32])[OH:33].[CH3:48][OH:49].[CH:34]([O:35][CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[n:11]([CH2:26][CH3:27])[c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]4[c:18]3[c:19]3[c:20]2[C:21](=[O:25])[NH:22][C:23]3=[O:24])[cH:4][cH:5][cH:6][cH:7]1.[Na+:29].[c:41]1([CH3:42])[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[Cl:1][c:2]1[c:3](-[c:8]2[cH:9][c:10]3[n:11]([CH2:26][CH3:27])[c:12]4[cH:13][cH:14][cH:15][cH:16][c:17]4[c:18]3[c:19]3[c:20]2[C:21](=[O:25])[NH:22][CH:23]3[OH:24])[cH:4][cH:5][cH:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 1140TolueneHCID 7914Diisopropyl EtherHCID 28123BorohydrideHCID 14677289HCID 14677289, compound

Product 1

HCID 14677300HCID 14677300, compound

Sources & evidence

ORD record
ord-fe5e7db5dbce460ca82eea20cfd430ef
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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