Water → HCID 42629828, compound

HRID 145422Notes

Reaction equation

HRID 145422 reaction equation
[C:24](=[O:25])([O-:26])[O-:27].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([CH3:23])[c:11]3[n:12]2[c:13]2[cH:14][cH:15][c:16]([OH:22])[cH:17][c:18]2[n:19][c:20]3[CH3:21])[cH:4][cH:5][cH:6][cH:7]1.[Cs+:28].[Cs+:29].[F:35][c:36]1[c:37]([CH2:38][Br:39])[c:40]([F:44])[cH:41][cH:42][cH:43]1.[OH2:45]>>[Cl:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([CH3:23])[c:11]3[n:12]2[c:13]2[cH:14][cH:15][c:16]([O:22][CH2:38][c:37]4[c:36]([F:35])[cH:43][cH:42][cH:41][c:40]4[F:44])[cH:17][c:18]2[n:19][c:20]3[CH3:21])[cH:4][cH:5][cH:6][cH:7]1

Participants

7

Reactant 6

HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 5814352-(Bromomethyl)-1,3-difluorobenzeneHCID 42629710HCID 42629710, compound

Product 1

HCID 42629828HCID 42629828, compound

Sources & evidence

ORD record
ord-7bbc8c7c38ea48669b6d86243cb49421
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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