Acetone → {[2-(7-Methoxy-benzo[1,3]dioxole-5-carbonyl)-benzenesulfonyl]-o-tolyl-amino}-acetic acid methyl ester

HRID 699242

Reaction equation

HRID 699242 reaction equation
[CH3:1][C:2](=[O:3])[CH3:4].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:5][O:6][C:7]([CH2:8][N:9]([c:10]1[c:11]([CH3:16])[cH:12][cH:13][cH:14][cH:15]1)[S:17](=[O:18])(=[O:19])[c:20]1[c:21]([CH:26]([c:27]2[cH:28][c:29]3[c:30]([c:34]([O:36][CH3:37])[cH:35]2)[O:31][CH2:32][O:33]3)[OH:38])[cH:22][cH:23][cH:24][cH:25]1)=[O:39].[CH:40]([OH:41])([CH3:42])[CH3:43]>>[CH3:5][O:6][C:7]([CH2:8][N:9]([c:10]1[c:11]([CH3:16])[cH:12][cH:13][cH:14][cH:15]1)[S:17](=[O:18])(=[O:19])[c:20]1[c:21]([C:26]([c:27]2[cH:28][c:29]3[c:30]([c:34]([O:36][CH3:37])[cH:35]2)[O:31][CH2:32][O:33]3)=[O:38])[cH:22][cH:23][cH:24][cH:25]1)=[O:39]

Participants

5

Reactant 4

HCID 180AcetoneHCID 3776IsopropanolHCID 8857Ethyl AcetateHCID 22965597({2-[Hydroxy-(7-methoxy-benzo[1,3]dioxol-5-yl)-methyl]-benzenesulfonyl}-o-tolyl-amino)-acetic acid methyl ester

Product 1

HCID 22965596{[2-(7-Methoxy-benzo[1,3]dioxole-5-carbonyl)-benzenesulfonyl]-o-tolyl-amino}-acetic acid methyl ester

Sources & evidence

ORD record
ord-6547a87c6fb544ffab9a0dde1311cc47
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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