Citric Acid → (2-{5-(2-methoxyethoxy)-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

HRID 1142274Notes

Reaction equation

HRID 1142274 reaction equation
[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:25]3=[N:29][CH2:28][CH:27]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[S:26]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH3:24])[cH:14]1.[CH3:56][CH2:57][OH:58].[Na+:37].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:36].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[CH3:1][O:2][CH2:3][CH2:4][O:5][c:6]1[cH:7][c:8]2[cH:9][c:10]([C:25]3=[N:29][CH2:28][CH:27]([CH2:30][C:31](=[O:32])[OH:33])[S:26]3)[nH:11][c:12]2[c:13]([N:15]([S:16](=[O:17])(=[O:18])[c:19]2[s:20][cH:21][cH:22][cH:23]2)[CH3:24])[cH:14]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 8028TetrahydrofuranHCID 59303535ethyl(2-{5-(2-methoxyethoxy)-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetate

Product 1

HCID 68460040(2-{5-(2-methoxyethoxy)-7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-4,5-dihydro-1,3-thiazol-5-yl)acetic acid

Sources & evidence

ORD record
ord-7bad5da2346a4d3994de35e0fe9f709e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…