Water → HCID 178495488, compound

HRID 687887Notes

Reaction equation

HRID 687887 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:22][O:23][CH2:24][CH:25]([O:26][c:27]1[cH:28][c:29]([OH:44])[cH:30][c:31](-[c:33]2[nH:34][c:35]([C:38]3=[N:42][CH2:41][CH:40]([CH3:43])[O:39]3)[cH:36][cH:37]2)[cH:32]1)[CH3:45].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH3:12])[CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[n:6][cH:7]1.[Cs+:50].[Cs+:51].[OH2:52]>>[c:2]1([O:44][c:29]2[cH:28][c:27]([O:26][CH:25]([CH2:24][O:23][CH3:22])[CH3:45])[cH:32][c:31](-[c:33]3[nH:34][c:35]([C:38]4=[N:42][CH2:41][CH:40]([CH3:43])[O:39]4)[cH:36][cH:37]3)[cH:30]2)[cH:3][cH:4][c:5]([S:8](=[O:9])(=[O:10])[N:11]([CH3:12])[CH2:13][c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[n:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 666813895-Chloro-N-(4-methoxybenzyl)-N-methylpyridine-2-sulfonamideHCID 1784955173-(1-methoxypropan-2-yloxy)-5-[5-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)-1H-pyrrol-2-yl]phenol

Product 1

HCID 178495488HCID 178495488, compound

Sources & evidence

ORD record
ord-ff8fb11e3bc743f9bed38e4630921d9d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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