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

HRID 1206676Notes

Reaction equation

HRID 1206676 reaction equation
[Cl: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.[Cl:54][c:55]1[c:56]([O:80][CH:81]2[CH2:82][CH2:83][N:84]([CH:87]([CH3:88])[CH3:89])[CH2:85][CH2:86]2)[cH:57][c:58]2[cH:59][c:60]([C:70](=[O:71])[N:72]3[CH2:73][CH2:74][C:75]([F:78])([F:79])[CH2:76][CH2:77]3)[n:61](-[c:64]3[cH:65][n:66][cH:67][n:68][cH:69]3)[c:62]2[cH:63]1.[ClH:30].[F:1][C:2]1([F:3])[CH2:4][CH2:5][N:6]([C:7]([c:8]2[nH:9][c:10]3[c:11]([cH:12]2)[cH:13][c:14]([O:15][CH:16]2[CH2:17][CH2:18][N:19]([CH:20]([CH3:21])[CH3:22])[CH2:23][CH2:24]2)[cH:25][cH:26]3)=[O:27])[CH2:28][CH2:29]1>>[Cl:54][c:55]1[c:56]([O:80][CH:81]2[CH2:82][CH2:83][N:84]([CH:87]([CH3:88])[CH3:89])[CH2:85][CH2:86]2)[cH:57][c:58]2[cH:59][c:60]([C:70](=[O:71])[N:72]3[CH2:73][CH2:74][C:75]([F:78])([F:79])[CH2:76][CH2:77]3)[nH:61][c:62]2[cH:63]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 16739632[6-Chloro-5-(1-isopropyl-piperidin-4-yloxy)-1-pyrimidin-5-yl-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanoneHCID 670179066-chloro-5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indole-2-carboxylic acid

Product 1

HCID 67017927[6-chloro-5-(1-isopropyl-piperidin-4-yloxy)-1H-indol-2-yl]-(4,4-difluoro-piperidin-1-yl)-methanone

Sources & evidence

ORD record
ord-71021c41e28548f8b60c7ab8958f37e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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