Acetone → HCID 22712055, compound

HRID 1149945Notes

Reaction equation

HRID 1149945 reaction equation
[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[CH3:55][C:56](=[O:57])[CH3:58].[CH:1]1([CH2:4][N:5]([CH:6]2[CH2:7][CH2:8][NH:9][CH2:10][CH2:11]2)[CH2:12][CH2:13][CH2:14][OH:15])[CH2:2][CH2:3]1.[F:16][C:17]([c:18]1[cH:19][c:20]([CH2:28][CH2:29][N:30]([C:31]([CH:32]([c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[O:39][S:40]([CH3:41])(=[O:42])=[O:43])=[O:44])[CH3:45])[cH:21][c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]1)([F:46])[F:47]>>[CH:1]1([CH2:4][N:5]([CH:6]2[CH2:7][CH2:8][N:9]([CH:32]([C:31]([N:30]([CH2:29][CH2:28][c:20]3[cH:19][c:18]([C:17]([F:16])([F:46])[F:47])[cH:23][c:22]([C:24]([F:25])([F:26])[F:27])[cH:21]3)[CH3:45])=[O:44])[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[CH2:10][CH2:11]2)[CH2:12][CH2:13][CH2:14][OH:15])[CH2:2][CH2:3]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 8471TriethylamineHCID 11469921HCID 11469921, compoundHCID 12019500HCID 12019500, compound

Product 1

HCID 22712055HCID 22712055, compound

Sources & evidence

ORD record
ord-5134b8651e7742d58c61ef0b09e778e8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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