Acetic Acid → HCID 18442440, compound

HRID 1127469Notes

Reaction equation

HRID 1127469 reaction equation
[CH3:34][S-:35].[CH3:37][C:38](=[O:39])[OH:40].[Na+:36].[O:1]=[S:2]1(=[O:33])[CH2:3][C:4]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:5][N:6]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[OH:18])[c:11]([Br:13])[cH:12]2.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[O:1]=[S:2]1(=[O:33])[CH2:3][C:4]([CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:5][N:6]([c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:7]2[c:8]1[cH:9][c:10]([O:14][CH2:15][C:16](=[O:17])[OH:18])[c:11]([S:35][CH3:34])[cH:12]2

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6228DimethylformamideHCID 519392MercaptomethanideHCID 22393109HCID 22393109, compound

Product 1

HCID 18442440HCID 18442440, compound

Sources & evidence

ORD record
ord-b0dd59c5adc64895bc2616590c7a02ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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