Acetic Acid → HCID 19876845, compound

HRID 297242Notes

Reaction equation

HRID 297242 reaction equation
[C:49]([OH:50])(=[O:51])[CH3:52].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:58][OH:59].[Cl-:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]4[c:21]([cH:22]3)[CH:20]([S:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[O:29][CH3:30])[CH:19]([CH2:31][c:32]3[c:33]([C:38](=[O:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]3)[CH2:18]4)[n:9][c:10]2[cH:11]1.[K+:41].[K+:42].[NH4+:48].[O-:43][C:44]([O-:45])=[O:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][c:8]([CH2:12][O:13][c:14]3[cH:15][cH:16][c:17]4[c:21]([cH:22]3)[CH:20]([S:23][CH2:24][CH2:25][CH2:26][C:27](=[O:28])[OH:29])[CH:19]([CH2:31][c:32]3[c:33]([C:38](=[O:39])[OH:40])[cH:34][cH:35][cH:36][cH:37]3)[CH2:18]4)[n:9][c:10]2[cH:11]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 813Potassium Cation2×HCID 887MethanolHCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 19876837HCID 19876837, compound

Product 1

HCID 19876845HCID 19876845, compound

Sources & evidence

ORD record
ord-3893c70e27864276b4ae33de7545413b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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