Acetic Acid → HCID 53744360, compound

HRID 205539Notes

Reaction equation

HRID 205539 reaction equation
[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[CH3:37][C:38](=[O:39])[OH:40].[OH:1][CH:2]([CH2:3][C:4](=[O:5])[OH:6])[CH2:7][CH:8]([CH:9]=[CH:10][c:11]1[n:12]([CH3:28])[c:13](=[O:27])[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]1-[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[OH:29]>>[OH:1][CH:2]1[CH2:3][C:4](=[O:5])[O:29][CH:8]([CH:9]=[CH:10][c:11]2[n:12]([CH3:28])[c:13](=[O:27])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]3[c:20]2-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:7]1

Participants

4

Reactant 3

HCID 176Acetic AcidHCID 1140TolueneHCID 54213168HCID 54213168, compound

Product 1

HCID 53744360HCID 53744360, compound

Sources & evidence

ORD record
ord-e53e0285841043a88dd93d7a64822bac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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