Acetone → HCID 19769842, compound

HRID 167520Notes

Reaction equation

HRID 167520 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:1]([C:2]#[CH:3])[Br:4].[CH3:52][C:53](=[O:54])[CH3:55].[CH3:5][c:6]1[c:7]([CH2:30][CH:31]2[CH2:32][CH2:33][c:34]3[nH:35][c:36]4[cH:37][cH:38][cH:39][cH:40][c:41]4[c:42]3[C:43]2=[O:44])[n:8][cH:9][n:10]1[C:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[K+:49].[K+:50].[OH2:51]>>[CH:1]#[C:2][CH2:3][n:35]1[c:34]2[c:42]([c:41]3[c:36]1[cH:37][cH:38][cH:39][cH:40]3)[C:43](=[O:44])[CH:31]([CH2:30][c:7]1[c:6]([CH3:5])[n:10]([C:11]([c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)([c:18]3[cH:19][cH:20][cH:21][cH:22][cH:23]3)[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[cH:9][n:8]1)[CH2:32][CH2:33]2

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 7842Propargyl bromideHCID 19660Carbonate IonHCID 19769831HCID 19769831, compound

Product 1

HCID 19769842HCID 19769842, compound

Sources & evidence

ORD record
ord-0953f051ff984bf3b9f755dc8fcaebe7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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