Acetone → HCID 68452787, compound

HRID 148705Notes

Reaction equation

HRID 148705 reaction equation
[Br:33][CH2:34][C:35]#[N:36].[C:37](=[O:38])([O-:39])[O-:40].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][c:10](-[c:17]2[o:18][c:19](-[c:22]3[cH:23][c:24]4[cH:25][cH:26][c:27]([OH:32])[cH:28][c:29]4[cH:30][cH:31]3)[cH:20][n:21]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12.[CH3:43][C:44](=[O:45])[CH3:46].[Cs+:41].[Cs+:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[cH:9][c:10](-[c:17]2[o:18][c:19](-[c:22]3[cH:23][c:24]4[cH:25][cH:26][c:27]([O:32][CH2:34][C:35]#[N:36])[cH:28][c:29]4[cH:30][cH:31]3)[cH:20][n:21]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][c:16]12

Participants

6

Reactant 5

HCID 180AcetoneHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 68452504HCID 68452504, compound

Product 1

HCID 68452787HCID 68452787, compound

Sources & evidence

ORD record
ord-b1605bd6bd99493ea1fcccac1fed541c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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