Chloride → HCID 54304223, compound

HRID 176316Notes

Reaction equation

HRID 176316 reaction equation
[C:12]([CH3:13])([CH3:14])([CH3:15])[O:16][C:17]([CH:18]=[CH:19][c:20]1[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][c:29]2[cH:30][c:31]([O:46][CH3:47])[c:32]([NH:35][C:36](=[O:37])[NH:38][c:39]3[c:40]([CH3:45])[cH:41][cH:42][cH:43][cH:44]3)[cH:33][cH:34]2)=[O:48])[cH:24][cH:25]1)=[O:49].[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][NH:6]1.[CH2:7]([Li:8])[CH2:9][CH2:10][CH3:11].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Cl-:53].[H-:50].[Na+:51].[Na+:52].[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1>>[CH2:1]1[CH2:2][O:3][CH2:4][CH2:5][N:6]1[CH:19]([CH2:18][C:17]([O:16][C:12]([CH3:13])([CH3:14])[CH3:15])=[O:49])[c:20]1[cH:21][cH:22][c:23]([NH:26][C:27]([CH2:28][c:29]2[cH:30][c:31]([O:46][CH3:47])[c:32]([NH:35][C:36](=[O:37])[NH:38][c:39]3[c:40]([CH3:45])[cH:41][cH:42][cH:43][cH:44]3)[cH:33][cH:34]2)=[O:48])[cH:24][cH:25]1

Participants

9

Reactant 8

HCID 312ChlorideHCID 923Sodium ion2×HCID 8028TetrahydrofuranHCID 8083MorpholineHCID 8857Ethyl AcetateHCID 166653HydrideHCID 54055857HCID 54055857, compoundHCID 178418339Butyllithium

Product 1

HCID 54304223HCID 54304223, compound

Sources & evidence

ORD record
ord-dbf92bfa762f43c19e47e64c273ac894
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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