Chloride → HCID 23590003, compound

HRID 694502Notes

Reaction equation

HRID 694502 reaction equation
[C:23](=[O:24])([O-:25])[O-:26].[CH2:29]([CH3:30])[O:31][C:32]([CH:33]([CH2:34][CH3:35])[Br:36])=[O:37].[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([OH:22])[cH:20][cH:21]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[Cl-:44].[Cs+:27].[Cs+:28].[Na+:45].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[CH3:1][c:2]1[c:3]([CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH:33]([C:32]([O:31][CH2:29][CH3:30])=[O:37])[CH2:34][CH3:35])[cH:20][cH:21]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 79039Butanoic acid, 2-bromo-, ethyl esterHCID 104967Cesium cation2×HCID 22261244HCID 22261244, compound

Product 1

HCID 23590003HCID 23590003, compound

Sources & evidence

ORD record
ord-f297e7f9185c44a0b06a763990a9f092
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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