Sodium ion → HCID 178460378, compound

HRID 169369Notes

Reaction equation

HRID 169369 reaction equation
[C:56]([O:57][CH3:58])([CH3:59])([CH3:60])[CH3:61].[CH3:50][CH2:51][O:52][C:53]([CH3:54])=[O:55].[Cl:38][CH2:39][Cl:40].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47].[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[n:19][n:20]([CH3:23])[cH:21][cH:22]4)[cH:24][c:25]([O:27][CH:28]([CH2:29][O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH3:35])[cH:26]3)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4]1.[Na+:49].[OH-:48].[OH2:62]>>[N:1]1([C:5](=[O:6])[c:7]2[cH:8][cH:9][c:10]([O:11][c:12]3[cH:13][c:14]([C:15](=[O:16])[NH:17][c:18]4[n:19][n:20]([CH3:23])[cH:21][cH:22]4)[cH:24][c:25]([O:27][CH:28]([CH2:29][OH:30])[CH3:35])[cH:26]3)[cH:36][cH:37]2)[CH2:2][CH2:3][CH2:4]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 15413tert-Butyl methyl etherHCID 178459103HCID 178459103, compound

Product 1

HCID 178460378HCID 178460378, compound

Sources & evidence

ORD record
ord-9afb0fc5771c46518e4e05753675ed6a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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