Acetone → HCID 13019528, compound

HRID 88054Notes

Reaction equation

HRID 88054 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([C:22](=[O:23])[O:24][CH3:25])[cH:26][cH:27][cH:28][cH:29]2)[CH2:14][CH2:15]1.[C:36]([NH:37][CH:38]1[CH2:39][CH2:40][N:41]([CH2:42][CH2:43][CH2:44][O:45][c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[C:52]([OH:53])=[O:54])[CH2:55][CH2:56]1)(=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH3:30][CH2:31][OH:32].[CH3:64][C:65](=[O:66])[CH3:67].[ClH:35].[Na+:34].[OH-:33]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[NH:9][CH:10]1[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][O:19][c:20]2[c:21]([C:22](=[O:23])[OH:24])[cH:26][cH:27][cH:28][cH:29]2)[CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 13019513HCID 13019513, compoundHCID 13019528HCID 13019528, compound

Product 1

HCID 13019528HCID 13019528, compound

Sources & evidence

ORD record
ord-ebaa57afd67640509cef99e5883b1f07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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