Acetone → HCID 136140517, compound

HRID 295331Notes

Reaction equation

HRID 295331 reaction equation
[C:36](=[O:37])=[O:38].[CH3:32][C:33]([CH3:34])=[O:35].[CH3:39][CH:40]([CH2:41][AlH:42][CH2:43][CH:44]([CH3:45])[CH3:46])[CH3:47].[Cl:48][CH:49]([Cl:50])[Cl:51].[O:1]=[C:2]1[CH2:3][CH:4]([c:23]2[c:24]([F:31])[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]2)[c:5]2[c:6]([n:8][nH:9][c:10]2[CH:11]2[CH2:12][CH:13]([c:15]3[cH:16][c:17]([C:18]#[N:19])[cH:20][cH:21][cH:22]3)[CH2:14]2)[NH:7]1>>[O:1]=[C:2]1[CH2:3][CH:4]([c:23]2[c:24]([F:31])[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]2)[c:5]2[c:6]([n:8][nH:9][c:10]2[CH:11]2[CH2:12][CH:13]([c:15]3[cH:16][c:17]([CH:18]=[O:35])[cH:20][cH:21][cH:22]3)[CH2:14]2)[NH:7]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 280Carbon DioxideHCID 6212ChloroformHCID 14487Diisobutylaluminum hydrideHCID 136140516HCID 136140516, compound

Product 1

HCID 136140517HCID 136140517, compound

Sources & evidence

ORD record
ord-7e8f13875cba4ce0ad4b006a7c5024bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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