Water → HCID 178492851, compound

HRID 176631Notes

Reaction equation

HRID 176631 reaction equation
[CH3:38][S:39]([O:40][S:41]([CH3:42])(=[O:43])=[O:44])(=[O:45])=[O:46].[CH3:47][CH2:48][N:49]([CH2:50][CH3:51])[CH2:52][CH3:53].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[OH:20].[Cl:72][CH:73]([Cl:74])[Cl:75].[O-:65][C:66]([C:67]([F:68])([F:69])[F:70])=[O:71].[OH2:76].[OH:54][CH:55]1[CH2:56][CH:57]([C:60](=[O:61])[N:62]([CH3:63])[CH3:64])[NH:58][CH2:59]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][cH:7]1)[N:8]([S:22](=[O:23])(=[O:24])[c:25]1[c:26]([O:33][C:34]([F:35])([F:36])[F:37])[cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]1)[C:9](=[O:21])[C:10]2([c:11]1[c:12]([O:18][CH3:19])[cH:13][cH:14][c:15]([CH3:17])[cH:16]1)[N:58]1[CH:57]([C:60](=[O:61])[N:62]([CH3:63])[CH3:64])[CH2:56][CH:55]([OH:54])[CH2:59]1

Participants

8

Reactant 7

HCID 962WaterHCID 6212ChloroformHCID 8471TriethylamineHCID 81560Methanesulfonic anhydrideHCID 84468TrifluoroacetateHCID 199071924-hydroxy-N,N-dimethylpyrrolidine-2-carboxamideHCID 674294995-chloro-3-hydroxy-3-(2-methoxy-5-methylphenyl)-1-{[4-methoxy-2-(trifluoromethoxy)phenyl]sulfonyl}-1,3-dihydro-2H-pyrrolo[2,3-b]pyridin-2-one

Product 1

HCID 178492851HCID 178492851, compound

Sources & evidence

ORD record
ord-a8de1c7023d24a9fa3c325e1eb66da6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

Loading…