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Hydrochloric Acid → Hydrochloric Acid

HRID 821609
Notes
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Reaction equation

HRID 821609 reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][CH2:5][CH2:6][N:7]=[C:8]=[N:9][CH2:10][CH3:11].[CH3:35][N:36]([CH2:37][CH2:38][CH2:39][O:40][c:41]1[c:42]([CH2:47][C:48](=[O:49])[OH:50])[cH:43][cH:44][cH:45][cH:46]1)[CH3:51].[CH:62]([N:63]([CH:64]([CH3:65])[CH3:66])[CH2:67][CH3:68])([CH3:69])[CH3:70].[Cl:71][CH2:72][Cl:73].[ClH:12].[OH:52][n:53]1[c:54]2[cH:55][cH:56][cH:57][cH:58][c:59]2[n:60][n:61]1.[c:13]1([C:19]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:20]3[CH2:21][NH:22][CH2:23][CH:24]3[CH:25]([F:28])[CH2:26][CH2:27]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1>>[ClH:12].[c:13]1([C:19]2([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[CH:20]3[CH2:21][N:22]([C:48]([CH2:47][c:42]4[c:41]([O:40][CH2:39][CH2:38][CH2:37][N:36]([CH3:35])[CH3:51])[cH:46][cH:45][cH:44][cH:43]4)=[O:49])[CH2:23][CH:24]3[CH:25]([F:28])[CH2:26][CH2:27]2)[cH:14][cH:15][cH:16][cH:17][cH:18]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 224172542-(3-Dimethylaminopropoxy)phenylacetic acid
HCID 22417258
4-Fluoro-7,7-diphenyl-1,2,3,3a,4,5,6,7a-octahydroisoindole

Product 2

HCID 313Hydrochloric AcidHCID 193846182-[2-[3-(dimethylamino)propoxy]phenyl]-1-(4-fluoro-7,7-diphenyl-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl)ethanone

Sources & evidence

ORD record
ord-e362da53817443f08084e3faac39aa49
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes