Acetone → HCID 21995945, compound

HRID 1563578Notes

Reaction equation

HRID 1563578 reaction equation
[C:47](=[O:48])([OH:49])[O-:50].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:1][O:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([cH:41]2)[CH:16]=[C:17]([C:23](=[O:24])[NH:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][N:33]([CH:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[CH3:40])[cH:30][cH:31]2)[CH2:18][CH2:19][S:20]3(=[O:21])=[O:22])[cH:9][cH:10]1.[CH3:57][C:58](=[O:59])[CH3:60].[Na+:51].[S:42](=[O:43])(=[O:44])([OH:45])[OH:46]>>[OH:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][cH:13][c:14]3[c:15]([cH:41]2)[CH:16]=[C:17]([C:23](=[O:24])[NH:25][c:26]2[cH:27][cH:28][c:29]([CH2:32][N:33]([CH:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[CH3:40])[cH:30][cH:31]2)[CH2:18][CH2:19][S:20]3(=[O:21])=[O:22])[cH:9][cH:10]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 1118Sulfuric AcidHCID 8028TetrahydrofuranHCID 21995886HCID 21995886, compound

Product 1

HCID 21995945HCID 21995945, compound

Sources & evidence

ORD record
ord-7d7346590cd44eb4b86bbba0b48f733d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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