Acetic Acid → HCID 178427699, compound

HRID 1226456Notes

Reaction equation

HRID 1226456 reaction equation
[C:10](=[O:11])([CH3:12])[O:13][CH:14]1[C:15]([n:45]2[c:46](=[O:47])[nH:48][c:49](=[O:50])[c:51]([CH3:53])[cH:52]2)([SiH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[O:16][C:17]([CH2:27][O:28][C:29]([CH3:30])([CH3:31])[CH3:32])([CH2:33][O:34][S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]2)[CH:18]1[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[C:1](=[O:2])([O-:3])[O-:4].[CH3:67][C:68](=[O:69])[OH:70].[CH3:8][OH:9].[K+:5].[K+:6].[OH2:7]>>[OH:13][CH:14]1[C:15]([n:45]2[c:46](=[O:47])[nH:48][c:49](=[O:50])[c:51]([CH3:53])[cH:52]2)([SiH:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[O:16][C:17]([CH2:27][O:28][C:29]([CH3:30])([CH3:31])[CH3:32])([CH2:33][O:34][S:35](=[O:36])(=[O:37])[c:38]2[cH:39][cH:40][c:41]([CH3:44])[cH:42][cH:43]2)[CH:18]1[O:19][CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 19660Carbonate IonHCID 178475596HCID 178475596, compound

Product 1

HCID 178427699HCID 178427699, compound

Sources & evidence

ORD record
ord-5806f458ab2f4ab0b93c741bf04809ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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