Acetone → HCID 178489779, compound

HRID 2333743Notes

Reaction equation

HRID 2333743 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:27][O:28][c:29]1[cH:30][c:31]([CH2:37][CH2:38][c:39]2[cH:40][c:41]([NH2:44])[nH:42][n:43]2)[cH:32][c:33]([O:35][CH3:36])[cH:34]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][C:53](=[O:54])[CH3:55].[CH3:5][O:6][C:7](=[O:8])[c:9]1[cH:10][cH:11][c:12]([N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[s:13]1>>[C:7](=[O:8])([c:9]1[cH:10][cH:11][c:12]([N:14]2[CH2:15][CH2:16][N:17]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:18][CH2:19]2)[s:13]1)[NH:44][c:41]1[cH:40][c:39]([CH2:38][CH2:37][c:31]2[cH:30][c:29]([O:28][CH3:27])[cH:34][c:33]([O:35][CH3:36])[cH:32]2)[n:43][nH:42]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 1140TolueneHCID 16682925TrimethylaluminumHCID 57440414Tert-butyl 4-(5-(methoxycarbonyl)thiophen-2-yl)piperazine-1-carboxylateHCID 178489815HCID 178489815, compound

Product 1

HCID 178489779HCID 178489779, compound

Sources & evidence

ORD record
ord-310544e67a884519a2ed6bc7373c15d2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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