Acetone → HCID 66856613, compound

HRID 1131516Notes

Reaction equation

HRID 1131516 reaction equation
[Br:1][CH2:2][CH2:3][CH2:4][N:5]1[C:6](=[O:15])[c:7]2[c:8]([cH:11][cH:12][cH:13][cH:14]2)[C:9]1=[O:10].[C:16](=[O:17])([O-:18])[O-:19].[CH3:55][C:56](=[O:57])[CH3:58].[K+:20].[K+:21].[OH2:54].[OH:22][c:23]1[c:24](-[c:40]2[cH:41][c:42]3[c:47]([cH:48][cH:49]2)[C:46]([CH3:50])([CH3:51])[CH2:45][CH2:44][C:43]3([CH3:52])[CH3:53])[cH:25][c:26](-[c:29]2[cH:30][cH:31][c:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:33][cH:34]2)[cH:27][cH:28]1>>[CH2:2]([CH2:3][CH2:4][N:5]1[C:6](=[O:15])[c:7]2[c:8]([cH:11][cH:12][cH:13][cH:14]2)[C:9]1=[O:10])[O:22][c:23]1[c:24](-[c:40]2[cH:41][c:42]3[c:47]([cH:48][cH:49]2)[C:46]([CH3:50])([CH3:51])[CH2:45][CH2:44][C:43]3([CH3:52])[CH3:53])[cH:25][c:26](-[c:29]2[cH:30][cH:31][c:32]([C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:33][cH:34]2)[cH:27][cH:28]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 19660Carbonate IonHCID 21611N-3-BromopropylphthalimideHCID 57552328Ethyl 4'-hydroxy-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphth-2-yl)biphenyl-4-carboxylate

Product 1

HCID 66856613HCID 66856613, compound

Sources & evidence

ORD record
ord-ec2b30a9a865444db43822498687e200
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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