Sodium ion → (3RS)-1,3-dihydro-5-phenyl-3-phthalimido-1-{2-((RS)-2-tetrahydropyranyloxy) ethyl}-2H-1,4-benzodiazepine-2-one

HRID 138042Notes

Reaction equation

HRID 138042 reaction equation
[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[H-:30].[Na+:31].[O:32]1[CH:33]([O:38][CH2:39][CH2:40][Br:41])[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH2:42].[c:1]1([C:7]2=[N:8][CH:9]([N:19]3[C:20](=[O:29])[c:21]4[c:22]([cH:25][cH:26][cH:27][cH:28]4)[C:23]3=[O:24])[C:10](=[O:18])[NH:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7]2=[N:8][CH:9]([N:19]3[C:20](=[O:29])[c:21]4[c:22]([cH:25][cH:26][cH:27][cH:28]4)[C:23]3=[O:24])[C:10](=[O:18])[N:11]([CH2:40][CH2:39][O:38][CH:33]3[O:32][CH2:37][CH2:36][CH2:35][CH2:34]3)[c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 866212-(2-Bromoethoxy)tetrahydro-2H-pyranHCID 166653HydrideHCID 14800302(3RS)-1,3-dihydro-5-phenyl-3-phthalimido-2H-1,4-benzodiazepine-2-one

Product 1

HCID 14800303(3RS)-1,3-dihydro-5-phenyl-3-phthalimido-1-{2-((RS)-2-tetrahydropyranyloxy) ethyl}-2H-1,4-benzodiazepine-2-one

Sources & evidence

ORD record
ord-4fc052a70d3d4774b5563e03e09e8785
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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