Hydrochloric Acid → (4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-benzo[b]thiophen-2-yl]-methanone

HRID 211860Notes

Reaction equation

HRID 211860 reaction equation
[CH2:59]([N:60]([CH:61]([CH3:62])[CH3:63])[CH:64]([CH3:65])[CH3:66])[CH3:67].[CH2:68]1[O:69][CH2:70][CH2:71][CH2:72]1.[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:10][c:11]2[cH:12][c:13]3[c:14]([s:15][c:16]([C:18](=[O:19])[OH:20])[cH:17]3)[cH:21][cH:22]2)[CH2:8][CH2:9]1.[ClH:23].[F:24][C:25]1([F:31])[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[P-:32]([F:33])([F:34])([F:35])([F:36])([F:37])[F:38].[n:39]1([O:40][P+:41]([N:42]([CH3:43])[CH3:44])([N:45]([CH3:46])[CH3:47])[N:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:1]([CH3:2])([CH3:3])[N:4]1[CH2:5][CH2:6][CH:7]([O:10][c:11]2[cH:12][c:13]3[c:14]([s:15][c:16]([C:18](=[O:19])[N:28]4[CH2:27][CH2:26][C:25]([F:24])([F:31])[CH2:30][CH2:29]4)[cH:17]3)[cH:21][cH:22]2)[CH2:8][CH2:9]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 27583524,4-DifluoropiperidineHCID 687282875-(1-Isopropyl-piperidin-4-yloxy)-benzo[b]thiophene-2-carboxylic acid

Product 1

HCID 68878185(4,4-Difluoro-piperidin-1-yl)-[5-(1-isopropyl-piperidin-4-yloxy)-benzo[b]thiophen-2-yl]-methanone

Sources & evidence

ORD record
ord-f2b6d4023a5443fab82c227b5c0557bd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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