Hydrochloric Acid → 1-(2-Ethoxyphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine

HRID 668282Notes

Reaction equation

HRID 668282 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][cH:7]1)[CH:8]([CH2:9][C:10]([OH:11])=[O:12])[O:13][CH2:14][CH2:15]2.[CH2:45]([CH3:46])[O:47][c:48]1[c:49]([N:54]2[CH2:55][CH2:56][N:57]([C:60]([CH2:61][CH:62]3[O:63][CH2:64][CH2:65][c:66]4[cH:67][c:68]([Br:72])[cH:69][cH:70][c:71]43)=[O:73])[CH2:58][CH2:59]2)[cH:50][cH:51][cH:52][cH:53]1.[CH:19]1([CH2:20][CH2:21][N:22]2[CH2:23][CH2:24][N:25]([c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][CH3:33])[CH2:34][CH2:35]2)[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[CH2:42][CH2:43][O:44]1.[ClH:17].[ClH:18].[OH2:16]>>[CH2:45]([CH3:46])[O:47][c:48]1[c:49]([N:54]2[CH2:55][CH2:56][N:57]([CH2:60][CH2:61][CH:62]3[O:63][CH2:64][CH2:65][c:66]4[cH:67][c:68]([Br:72])[cH:69][cH:70][c:71]43)[CH2:58][CH2:59]2)[cH:50][cH:51][cH:52][cH:53]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 10540012(6-Bromoisochroman-1-yl)acetic acidHCID 232889521-[2-(3,4-dihydro-1H-isochromen-1-yl)ethyl]-4-(2-methoxyphenyl)piperazineHCID 700809131-(2-Ethoxyphenyl)-4-[2-(6-bromoisochroman-1-yl)]acetyl piperazine

Product 1

HCID 154878371-(2-Ethoxyphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine

Sources & evidence

ORD record
ord-d159c8b78caf4cc9a3c3aa35465cd5ca
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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