Acetate → HCID 178459650, compound

HRID 1538629Notes

Reaction equation

HRID 1538629 reaction equation
[C:38](=[O:39])([O-:40])[OH:41].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:21][O:22][c:23]1[cH:24][cH:25][c:26]([CH2:27][Cl:28])[cH:29][cH:30]1.[CH3:31][CH2:32][N:33]([CH2:34][CH3:35])[CH2:36][CH3:37].[CH3:43][C:44](=[O:45])[O-:46].[Na+:42].[OH:1][CH2:2][CH:3]1[N:4]([C:15](=[O:16])[O:17][CH2:18][CH:19]=[CH2:20])[CH2:5][CH:6]=[C:7]([c:9]2[n:10][c:11]([SH:14])[s:12][cH:13]2)[CH2:8]1>>[OH:1][CH2:2][CH:3]1[N:4]([C:15](=[O:16])[O:17][CH2:18][CH:19]=[CH2:20])[CH2:5][CH:6]=[C:7]([c:9]2[n:10][c:11]([S:14][CH2:27][c:26]3[cH:25][cH:24][c:23]([O:22][CH3:21])[cH:30][cH:29]3)[s:12][cH:13]2)[CH2:8]1

Participants

8

Reactant 7

HCID 175AcetateHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 699934-Methyloxybenzyl chlorideHCID 178459655HCID 178459655, compound

Product 1

HCID 178459650HCID 178459650, compound

Sources & evidence

ORD record
ord-7ad919adcb034586ae693c2f480c21d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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