Acetone → HCID 19689514, compound

HRID 2133154Notes

Reaction equation

HRID 2133154 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:34]3[n:35][cH:36][c:37]([C:40](=[CH2:41])[O:42][CH2:43][CH3:44])[cH:38][n:39]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[C:46](=[O:47])([O-:48])[OH:49].[CH3:51][C:52](=[O:53])[CH3:54].[ClH:45].[Na+:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:30][CH2:31][CH2:32][O:33][c:34]3[n:35][cH:36][c:37]([C:40]([CH3:41])=[O:42])[cH:38][n:39]3)[c:20]2[O:21][c:22]2[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 196895064-tert-butyl-N-[6-{2-(5-(1-ethoxyethenyl)pyrimidin-2-yloxy)ethoxy}-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide

Product 1

HCID 19689514HCID 19689514, compound

Sources & evidence

ORD record
ord-5c444cce1c4943659825dc3676c61c07
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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