Hydrochloric Acid → 1-(4-Benzyloxyphenyl)-4-[2-(6-bromoisochroman-1-yl)ethyl]piperazine
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]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][c:53]1[cH:54][cH:55][c:56]([N:59]2[CH2:60][CH2:61][N:62]([C:65]([CH2:66][CH:67]3[O:68][CH2:69][CH2:70][c:71]4[cH:72][c:73]([Br:77])[cH:74][cH:75][c:76]43)=[O:78])[CH2:63][CH2:64]2)[cH:57][cH:58]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]([c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)[O:52][c:53]1[cH:54][cH:55][c:56]([N:59]2[CH2:60][CH2:61][N:62]([CH2:65][CH2:66][CH:67]3[O:68][CH2:69][CH2:70][c:71]4[cH:72][c:73]([Br:77])[cH:74][cH:75][c:76]43)[CH2:63][CH2:64]2)[cH:57][cH:58]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-9446b53545de4ffaa2685aa11d11ceb4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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