Water → HCID 49779048, compound

HRID 2313883Notes

Reaction equation

HRID 2313883 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[Cl:35][CH2:36][c:37]1[n:38][c:39]2[n:40]([cH:41][cH:42][cH:43][cH:44]2)[cH:45]1.[Cs+:28].[Cs+:29].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:46].[OH:1][c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([c:16]3[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]3)[O:10][C:11]([CH3:14])([CH3:15])[C:12]2=[O:13])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([C:8]2=[C:9]([c:16]3[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]3)[O:10][C:11]([CH3:14])([CH3:15])[C:12]2=[O:13])[cH:6][cH:7]1)[CH2:36][c:37]1[n:38][c:39]2[n:40]([cH:41][cH:42][cH:43][cH:44]2)[cH:45]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 9576142-Chloromethyl-imidazo(1,2-A)pyridineHCID 666438444-(3-(4-Hydroxyphenyl)-5,5-dimethyl-4-oxo-4,5-dihydro furan-2-yl)benzonitrile

Product 1

HCID 49779048HCID 49779048, compound

Sources & evidence

ORD record
ord-7608ff57f0b3448d94b246611fa9550f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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