Hydrochloric Acid → Hydrochloric Acid

HRID 2349015Notes

Reaction equation

HRID 2349015 reaction equation
[C:68](=[O:69])([O-:70])[O-:71].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][C:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]3)([OH:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1.[CH2:34]([O:35][c:36]1[cH:37][cH:38][c:39]([O:40][CH2:41][CH2:42][Br:43])[cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:53][c:54]1[cH:55][cH:56][c:57]([CH2:58][C:59]2([OH:60])[CH2:61][CH2:62][NH:63][CH2:64][CH2:65]2)[cH:66][cH:67]1.[CH3:75][C:76]#[N:77].[CH3:78][OH:79].[ClH:1].[ClH:52].[ClH:74].[K+:72].[K+:73]>>[ClH:1].[OH:9][c:10]1[cH:11][cH:12][c:13]([O:14][CH2:15][CH2:16][N:17]2[CH2:18][CH2:19][C:20]([CH2:23][c:24]3[cH:25][cH:26][c:27]([CH3:30])[cH:28][cH:29]3)([OH:31])[CH2:21][CH2:22]2)[cH:32][cH:33]1

Participants

10

Reactant 8

HCID 313Hydrochloric Acid3×HCID 813Potassium Cation2×HCID 887MethanolHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 105044541-[2-(4-Benzyloxy-phenoxy)-ethyl]-4-(4-methyl-benzyl)-piperidin-4-olHCID 105362424-(4-Methylbenzyl)-piperidin-4-olHCID 107570881-(Benzyloxy)-4-(2-bromoethoxy)benzene

Product 2

HCID 313Hydrochloric AcidHCID 6918409Co-101244

Sources & evidence

ORD record
ord-9df986a500934ba2b7896a28dfa86f6d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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