Acetic Acid → HCID 58012042, compound

HRID 314765Notes

Reaction equation

HRID 314765 reaction equation
[BH4-:56].[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[CH3:58][C:59](=[O:60])[OH:61].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:24][C:25](=[O:26])[NH:27][C:28]([CH3:29])([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH3:40])[c:11](=[O:23])[n:12]2[CH2:13][c:14]2[cH:15][c:16]([C:17](=[O:18])[OH:19])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1.[Cl:48][C:49]([O:50][CH2:51][CH:52]([CH3:53])[CH3:54])=[O:55].[Na+:57].[OH2:67]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:24][C:25](=[O:26])[NH:27][C:28]([CH3:29])([c:30]3[cH:31][c:32]([C:36]([F:37])([F:38])[F:39])[cH:33][cH:34][cH:35]3)[CH3:40])[c:11](=[O:23])[n:12]2[CH2:13][c:14]2[cH:15][c:16]([CH2:17][OH:18])[cH:20][cH:21][cH:22]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 28123BorohydrideHCID 62365Isobutyl chloroformateHCID 58012040HCID 58012040, compound

Product 1

HCID 58012042HCID 58012042, compound

Sources & evidence

ORD record
ord-d115c726fbf5411e9b752adf6843d077
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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