Acetone → HCID 69354035, compound

HRID 2330454Notes

Reaction equation

HRID 2330454 reaction equation
[C:26]([CH3:27])([CH3:28])([CH3:29])[O:30][C:31]([CH2:32][O:33][CH2:34][CH2:35][CH2:36][CH2:37][Br:38])=[O:39].[CH3:40][C:41](=[O:42])[CH3:43].[Na+:20].[Na+:21].[O-:22][C:23](=[O:24])[O-:25].[c:1]1(-[c:7]2[n:8][cH:9][c:10]([SH:19])[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][cH:9][c:10]([S:19][CH2:37][CH2:36][CH2:35][CH2:34][O:33][CH2:32][C:31]([O:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:39])[n:11][c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 86592459Tert-butyl (4-bromobutyloxy)acetateHCID 178527736HCID 178527736, compound

Product 1

HCID 69354035HCID 69354035, compound

Sources & evidence

ORD record
ord-815ce258f08845c585ae3ff83d315254
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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