Hydrochloric Acid → [4-(6-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazin-1-yl]-acetic Acid Methyl Ester

HRID 2320570Notes

Reaction equation

HRID 2320570 reaction equation
[Br:45][CH2:46][C:47](=[O:48])[O:49][CH3:50].[CH3:60][CH2:61][OH:62].[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[Cl:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]2[n:12][c:13]([N:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:14][cH:15][cH:16]2)[CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][c:40]1[C:41]([F:42])([F:43])[F:44].[ClH:1]>>[Cl:2][c:3]1[c:4]([CH2:5][N:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]2[n:12][c:13]([N:17]3[CH2:18][CH2:19][N:20]([CH2:46][C:47](=[O:48])[O:49][CH3:50])[CH2:21][CH2:22]3)[cH:14][cH:15][cH:16]2)[CH2:23][CH:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][c:40]1[C:41]([F:42])([F:43])[F:44]

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 60984Methyl bromoacetateHCID 81531DiisopropylethylamineHCID 10218762N-[[2-chloro-3-(trifluoromethyl)phenyl]methyl]-N-(2,2-diphenylethyl)-3-(6-piperazin-1-ylpyridin-2-yl)oxypropan-1-amine

Product 1

HCID 69253888[4-(6-{3-[(2-Chloro-3-trifluoromethyl-benzyl)-(2,2-diphenyl-ethyl)-amino]-propoxy}-pyridin-2-yl)-piperazin-1-yl]-acetic Acid Methyl Ester

Sources & evidence

ORD record
ord-4fd9b83124bc42dba7afad53fbbf0424
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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