Hydrochloric Acid → 4-[2-(4,4-difluoro-piperidine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

HRID 105633

Reaction equation

HRID 105633 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:27])[OH:28])[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1.[CH2:39]([N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48])[CH3:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[ClH:29].[ClH:38].[F:30][C:31]1([F:37])[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([C:15](=[O:16])[c:17]2[cH:18][c:19]3[cH:20][c:21]([C:26](=[O:28])[N:34]4[CH2:33][CH2:32][C:31]([F:30])([F:37])[CH2:36][CH2:35]4)[nH:22][c:23]3[cH:24][cH:25]2)[CH2:12][CH2:13][CH2:14]1

Participants

6

Reactant 5

HCID 313Hydrochloric Acid2×HCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27583524,4-DifluoropiperidineHCID 685356295-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid

Product 1

HCID 686819194-[2-(4,4-difluoro-piperidine-1-carbonyl)-1H-indole-5-carbonyl]-[1,4]diazepane-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-9904f0152c864f2aaa6a00207f1eaaa7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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