Acetic Acid → HCID 59332641, compound

HRID 2338446Notes

Reaction equation

HRID 2338446 reaction equation
[CH3:36][C:37](=[O:38])[OH:39].[CH3:40][S:41]([CH3:42])=[O:43].[NH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]1.[O:1]=[S:2]1(=[O:28])[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][nH:11][c:12]3[c:13]([C:25](=[O:26])[NH2:27])[cH:14][c:15](-[c:18]4[cH:19][s:20][c:21]([CH:23]=[O:24])[cH:22]4)[cH:16][c:17]23)[CH2:6][CH2:7]1>>[O:1]=[S:2]1(=[O:28])[CH2:3][CH2:4][CH:5]([CH2:8][c:9]2[cH:10][nH:11][c:12]3[c:13]([C:25](=[O:26])[NH2:27])[cH:14][c:15](-[c:18]4[cH:19][s:20][c:21]([CH2:23][N:29]5[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]5)[cH:22]4)[cH:16][c:17]23)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 8119AzepaneHCID 59332746HCID 59332746, compound

Product 1

HCID 59332641HCID 59332641, compound

Sources & evidence

ORD record
ord-9a1212cd7b4740eba35e577071160864
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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