Acetic Acid → HCID 18442427, compound

HRID 105773Notes

Reaction equation

HRID 105773 reaction equation
[CH3:31][S-:32].[CH3:34][C:35](=[O:36])[OH:37].[Na+:33].[O:1]=[S:2]1(=[O:30])[CH2:3][C:4]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:5][N:6]([c:15]2[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]2)[c:7]2[c:8]1[cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]2.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38]>>[O:1]=[S:2]1(=[O:30])[CH2:3][C:4]([CH2:22][CH2:23][CH2:24][CH3:25])([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:5][N:6]([c:15]2[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]2)[c:7]2[c:8]1[cH:9][c:10]([OH:13])[cH:11][cH:12]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 519392MercaptomethanideHCID 18442428HCID 18442428, compound

Product 1

HCID 18442427HCID 18442427, compound

Sources & evidence

ORD record
ord-0289436fb2cd439f903edca287357ee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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