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Acetone → Hydrochloric Acid

HRID 302461
Notes
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Reaction equation

HRID 302461 reaction equation
[CH2:40]([OH:41])[CH3:42].[CH3:35][C:36]([CH3:37])=[O:38].[Cl:1][C:2](=[O:3])[N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2.[N:20]1([CH2:27][CH2:28][CH:29]2[CH2:30][NH:31][CH2:32][CH2:33][CH2:34]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]1.[OH2:39]>>[C:2](=[O:3])([N:4]1[c:5]2[c:6]([cH:16][cH:17][cH:18][n:19]2)[NH:7][C:8](=[O:15])[c:9]2[c:10]1[cH:11][cH:12][cH:13][cH:14]2)[N:31]1[CH2:30][CH:29]([CH2:28][CH2:27][N:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:34][CH2:33][CH2:32]1.[ClH:1]
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 5

HCID 180AcetoneHCID 702EthanolHCID 962WaterHCID 1104396211-chlorocarbonyl-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-oneHCID 150573143-[2-(hexahydro-1H-1-azepinyl)ethyl]piperidine

Product 2

HCID 313Hydrochloric Acid
HCID 14369656
11-[3-[2-(azepan-1-yl)ethyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one

Sources & evidence

ORD record
ord-151260f7f7c34b0ebbac285cc66d343c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes