Hydrochloric Acid → 5-Benzyloxy-2-(4,4-difluoro-piperidine-1-carbonyl)-pyrrolo[2,3-b]pyridine-1-carboxylic Acid tert-butyl Ester

HRID 304982Notes

Reaction equation

HRID 304982 reaction equation
[B-:28]([F:29])([F:30])([F:31])[F:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([C:25](=[O:26])[OH:27])[cH:10][c:11]2[c:12]1[n:13][cH:14][c:15]([O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[cH:16]2.[C:68](=[O:69])([OH:70])[O-:71].[CH:59]([N:60]([CH2:61][CH3:62])[CH:63]([CH3:64])[CH3:65])([CH3:66])[CH3:67].[ClH:50].[F:51][C:52]1([F:58])[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]1.[Na+:72].[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([C:25](=[O:26])[N:55]2[CH2:54][CH2:53][C:52]([F:51])([F:58])[CH2:57][CH2:56]2)[cH:10][c:11]2[c:12]1[n:13][cH:14][c:15]([O:17][CH2:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[cH:16]2

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27583524,4-DifluoropiperidineHCID 684251515-Benzyloxy-pyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid 1-tert-butyl ester

Product 1

HCID 684261195-Benzyloxy-2-(4,4-difluoro-piperidine-1-carbonyl)-pyrrolo[2,3-b]pyridine-1-carboxylic Acid tert-butyl Ester

Sources & evidence

ORD record
ord-e7b04c6bb57e40c18c8985d790bdec86
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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