Acetone → HCID 178487082, compound

HRID 156729Notes

Reaction equation

HRID 156729 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([CH3:7])[CH:8]([CH2:9][CH2:10]1)[CH:11]1[CH2:12][CH2:13][c:14]3[cH:15][c:16]([OH:45])[cH:17][cH:18][c:19]3[CH:20]1[CH:21]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][S:32](=[O:33])(=[O:34])[CH2:35][CH2:36][CH2:37][C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])[CH2:22]2.[C:53](=[O:54])([OH:55])[O-:56].[CH3:46][O:47][S:48](=[O:49])(=[O:50])[OH:51].[CH3:58][C:59](=[O:60])[CH3:61].[ClH:52].[Na+:57].[OH2:62]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[C:6]2([CH3:7])[CH:8]([CH2:9][CH2:10]1)[CH:11]1[CH2:12][CH2:13][c:14]3[cH:15][c:16]([O:45][CH3:46])[cH:17][cH:18][c:19]3[CH:20]1[CH:21]([CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][S:32](=[O:33])(=[O:34])[CH2:35][CH2:36][CH2:37][C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])[CH2:22]2

Participants

8

Reactant 7

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6412Monomethyl sulfateHCID 178475260HCID 178475260, compound

Product 1

HCID 178487082HCID 178487082, compound

Sources & evidence

ORD record
ord-4bd0eb3417e9474889e205c06b1ffbbf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…