Acetone → HCID 66590055, compound

HRID 2341296Notes

Reaction equation

HRID 2341296 reaction equation
[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:24][O:25][c:26]1[cH:27][c:28]([CH2:34][O:35][c:36]2[cH:37][c:38]([NH2:41])[nH:39][n:40]2)[cH:29][c:30]([O:32][CH3:33])[cH:31]1.[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH3:55][C:56](=[O:57])[CH3:58].[CH3:5][C:6]1([CH3:23])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:16]([O:18][CH2:17][CH3:19])=[O:20])[cH:21][cH:22]2)[CH2:9][CH2:10][NH:11]1.[Na+:46].[Na+:47].[S:42]([O-:43])([O-:44])=[O:45]>>[CH3:5][C:6]1([CH3:23])[CH2:7][N:8]([c:12]2[cH:13][cH:14][c:15]([C:16](=[O:18])[NH:41][c:38]3[cH:37][c:36]([O:35][CH2:34][c:28]4[cH:27][c:26]([O:25][CH3:24])[cH:31][c:30]([O:32][CH3:33])[cH:29]4)[n:40][nH:39]3)[cH:21][cH:22]2)[CH2:9][CH2:10][NH:11]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 923Sodium ion2×HCID 1099SulfiteHCID 1140TolueneHCID 16682925TrimethylaluminumHCID 574403815-[(3,5-dimethoxyphenyl)methoxy]-2H-pyrazol-3-amineHCID 57440420Ethyl 4-(3,3-dimethylpiperazin-1-yl)benzoate

Product 1

HCID 66590055HCID 66590055, compound

Sources & evidence

ORD record
ord-905499ad16364a5a8f16f4d8e8962aa5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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