Hydrochloric Acid → [6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

HRID 2323883Notes

Reaction equation

HRID 2323883 reaction equation
[Br:31][c:32]1[cH:33][c:34]2[c:35]([cH:36][c:37]([C:38]([OH:39])=[O:40])[nH:41]2)[cH:42][c:43]1[O:44][CH:45]1[CH2:46][CH2:47][N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH2:53]1.[Br:54][c:55]1[cH:56][c:57]2[c:58]([cH:59][c:60]([C:61]([N:62]3[CH2:63][CH2:64][O:65][CH2:66][CH2:67]3)=[O:68])[n:69]2-[c:70]2[cH:71][cH:72][n:73][c:74]([Cl:75])[cH:76]2)[cH:77][c:78]1[O:79][CH:80]1[CH2:81][CH2:82][N:83]([CH:84]([CH3:85])[CH3:86])[CH2:87][CH2:88]1.[ClH:30].[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][cH:14][c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1>>[F:1][C:2]1([F:29])[CH2:3][CH2:4][N:5]([C:8](=[O:9])[c:10]2[nH:11][c:12]3[cH:13][c:14]([Br:31])[c:15]([O:19][CH:20]4[CH2:21][CH2:22][N:23]([CH:26]([CH3:27])[CH3:28])[CH2:24][CH2:25]4)[cH:16][c:17]3[cH:18]2)[CH2:6][CH2:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 11603838(4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]methanoneHCID 16739659[6-Bromo-1-(2-chloro-pyridin-4-yl)-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-morpholin-4-yl-methanoneHCID 670179316-bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indole-2-carboxylic acid

Product 1

HCID 67017928[6-Bromo-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-744ff7cec65840dea7a613673dc80bcd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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