Acetic Acid → HCID 178437840, compound

HRID 698659Notes

Reaction equation

HRID 698659 reaction equation
[CH2:28]([SH:29])[CH2:30][CH3:31].[CH3:38][C:39](=[O:40])[OH:41].[CH:1]1([n:6]2[nH:7][c:8]([CH2:24][CH3:25])[c:9]3[c:14](=[O:15])[n:13][c:12](-[c:16]4[c:17]([O:22][CH3:23])[cH:18][cH:19][cH:20][cH:21]4)[n:11][c:10]2-3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[H-:27].[Na+:26].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[OH2:32]>>[CH:1]1([n:6]2[nH:7][c:8]([CH2:24][CH3:25])[c:9]3[c:14](=[O:15])[n:13][c:12](-[c:16]4[c:17]([OH:22])[cH:18][cH:19][cH:20][cH:21]4)[n:11][c:10]2-3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 7848Propyl mercaptanHCID 166653HydrideHCID 178437839HCID 178437839, compound

Product 1

HCID 178437840HCID 178437840, compound

Sources & evidence

ORD record
ord-241be358e3954d1aac9103784cd7941b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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