Hydrochloric Acid → 2-(3-methoxycyclopentyl)-N-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

HRID 2128792Notes

Reaction equation

HRID 2128792 reaction equation
[B-:49]([F:50])([F:51])([F:52])[F:53].[CH3:1][O:2][C:3]([CH2:4][CH:5]1[CH2:6][CH:7]([O:10][CH3:11])[CH2:8][CH2:9]1)=[O:12].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:76][CH2:77][Cl:78].[ClH:13].[ClH:14].[ClH:15].[Na+:75].[O-:71][C:72]([OH:73])=[O:74].[n:54]1([O:55][C:56]([N:57]([CH3:58])[CH3:59])=[N+:60]([CH3:61])[CH3:62])[c:63]2[cH:64][cH:65][cH:66][cH:67][c:68]2[n:69][n:70]1.[s:16]1[cH:17][cH:18][c:19]2[c:20]1[c:21]([N:25]1[CH2:26][CH2:27][N:28]([CH2:31][CH2:32][CH:33]3[CH2:34][CH2:35][CH:36]([NH2:39])[CH2:37][CH2:38]3)[CH2:29][CH2:30]1)[n:22][cH:23][cH:24]2>>[C:3]([CH2:4][CH:5]1[CH2:6][CH:7]([O:10][CH3:11])[CH2:8][CH2:9]1)(=[O:12])[NH:39][CH:36]1[CH2:35][CH2:34][CH:33]([CH2:32][CH2:31][N:28]2[CH2:27][CH2:26][N:25]([c:21]3[c:20]4[s:16][cH:17][cH:18][c:19]4[cH:24][cH:23][n:22]3)[CH2:30][CH2:29]2)[CH2:38][CH2:37]1

Participants

10

Reactant 9

HCID 313Hydrochloric Acid3×HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6344DichloromethaneHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 580456994-[2-(4-Thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexan-1-amineHCID 66653521HCID 66653521, compound

Product 1

HCID 666534542-(3-methoxycyclopentyl)-N-[4-[2-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)ethyl]cyclohexyl]acetamide

Sources & evidence

ORD record
ord-ff661ffee2974582b263de1afcd5c6db
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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