Acetic Acid → HCID 57989136, compound

HRID 1113883Notes

Reaction equation

HRID 1113883 reaction equation
[CH2:1]([O:3][CH:4]([O:2][CH2:33][CH3:34])[CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([CH2:15][N:16]([C:20](=[O:21])[c:22]4[s:23][c:24]([CH3:27])[cH:25][cH:26]4)[CH2:17][CH2:18][O:19]3)[CH2:28][CH2:29]2)[cH:30][cH:31][cH:32]1)[CH3:35].[CH3:36][C:37](=[O:38])[OH:39].[OH2:40]>>[O:3]=[CH:4][CH2:5][O:6][c:7]1[cH:8][c:9]([CH2:10][N:11]2[CH2:12][CH2:13][C:14]3([CH2:15][N:16]([C:20](=[O:21])[c:22]4[s:23][c:24]([CH3:27])[cH:25][cH:26]4)[CH2:17][CH2:18][O:19]3)[CH2:28][CH2:29]2)[cH:30][cH:31][cH:32]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 962WaterHCID 57989046HCID 57989046, compound

Product 1

HCID 57989136HCID 57989136, compound

Sources & evidence

ORD record
ord-1d80a03d3eb14218994618816be63949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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