Sodium ion → HCID 46870543, compound

HRID 144466Notes

Reaction equation

HRID 144466 reaction equation
[C:62]([O:63][CH2:64][CH3:65])(=[O:66])[CH3:67].[CH2:28]([S:29]([O:30][CH2:35][CH2:36][N:37]([S:38](=[O:39])(=[O:40])[CH2:41][CH2:42][CH3:43])[CH3:44])(=[O:31])=[O:32])[CH2:33][CH3:34].[CH2:56]1[CH2:57][CH2:58][CH2:59][CH2:60][CH2:61]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH:8]([NH:18][C:19]([O:20][CH2:21][CH3:22])=[O:23])[CH2:9][CH2:10][c:11]3[cH:12][cH:13][c:14]([OH:17])[cH:15][c:16]32)[cH:24][cH:25]1.[H-:26].[Na+:27].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:68]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH:8]([NH:18][C:19]([O:20][CH2:21][CH3:22])=[O:23])[CH2:9][CH2:10][c:11]3[cH:12][cH:13][c:14]([O:17][CH2:35][CH2:36][N:37]([S:38](=[O:39])(=[O:40])[CH2:41][CH2:42][CH3:43])[CH3:44])[cH:15][c:16]32)[cH:24][cH:25]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8078CyclohexaneHCID 8857Ethyl Acetate2×HCID 166653HydrideHCID 57471221HCID 57471221, compoundHCID 57471222HCID 57471222, compound

Product 1

HCID 46870543HCID 46870543, compound

Sources & evidence

ORD record
ord-9fb2a5a53cf34a9184c686d2dc226358
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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