Acetone → HCID 178435762, compound

HRID 2331550Notes

Reaction equation

HRID 2331550 reaction equation
[CH3:39][C:40](=[O:41])[CH3:42].[F:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([CH:20]([CH3:21])[N:22]3[C:23](=[O:38])[O:24][C:25]([c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)([CH2:34][CH2:35][CH2:36][OH:37])[CH2:26][CH2:27]3)[cH:18][cH:19]2)[cH:12][cH:13]1.[OH2:6].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[OH:6][C:36]([CH2:35][CH2:34][C:25]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[O:24][C:23](=[O:38])[N:22]([CH:20]([c:17]2[cH:16][cH:15][c:14](-[c:11]3[cH:10][cH:9][c:8]([F:7])[cH:13][cH:12]3)[cH:19][cH:18]2)[CH3:21])[CH2:27][CH2:26]1)=[O:37]

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 1118Sulfuric AcidHCID 68723476HCID 68723476, compound

Product 1

HCID 178435762HCID 178435762, compound

Sources & evidence

ORD record
ord-3d508ae94d604f70b8c071f7645299aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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