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Hydrochloric Acid → 1,3,4,5-tetrahydro-1-{1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)-methyl]-4-piperidinyl}-2H-imidazol-2-one

HRID 166433
Notes
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Reaction equation

HRID 166433 reaction equation
[C:30]([BH3-:31])#[N:32].[CH3:35][OH:36].[CH:1](=[O:2])[C:3]1([CH3:17])[c:4]2[n:5]([cH:14][cH:15][cH:16]2)-[c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[CH2:8][O:9]1.[ClH:34].[NH:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:29])[NH:26][CH2:27][CH2:28]2)[CH2:22][CH2:23]1.[Na+:33]>>[CH2:1]([C:3]1([CH3:17])[c:4]2[n:5]([cH:14][cH:15][cH:16]2)-[c:6]2[c:7]([cH:10][cH:11][cH:12][cH:13]2)[CH2:8][O:9]1)[N:18]1[CH2:19][CH2:20][CH:21]([N:24]2[C:25](=[O:29])[NH:26][CH2:27][CH2:28]2)[CH2:22][CH2:23]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium IonHCID 498716Cyano-borohydrideHCID 130317571-(Piperidin-4-yl)imidazolidin-2-oneHCID 141830784-formyl-4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepine

Product 1

HCID 14183079
1,3,4,5-tetrahydro-1-{1-[(4-methyl-4H,6H-pyrrolo[1,2-a][4,1]benzoxazepin-4-yl)-methyl]-4-piperidinyl}-2H-imidazol-2-one

Sources & evidence

ORD record
ord-3001c98c5a784893a60ad22f824fb9d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes