Hydrochloric Acid → 1-(3,3-Dimethyl-butyl)-piperidine-4-carboxylic Acid 2-methyl-4-(2-methyl-4,5-dihydro-1-oxa-3,6-diaza-benzo[e]azulene-6-carbonyl)-benzylamide

HRID 1113818Notes

Reaction equation

HRID 1113818 reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][C:36]([CH2:37][CH2:38][N:39]1[CH2:40][CH2:41][CH:42]([C:45](=[O:46])[OH:47])[CH2:43][CH2:44]1)([CH3:48])[CH3:49].[CH3:53][N:54]([c:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1)[CH3:61].[CH3:62][CH2:63][O:64][C:65]([CH3:66])=[O:67].[Cl:50][CH2:51][Cl:52].[ClH:1].[NH2:2][CH2:3][c:4]1[c:5]([CH3:27])[cH:6][c:7]([C:10](=[O:11])[N:12]2[c:13]3[c:14]([cH:23][cH:24][cH:25][cH:26]3)-[c:15]3[o:16][c:17]([CH3:22])[n:18][c:19]3[CH2:20][CH2:21]2)[cH:8][cH:9]1>>[NH:2]([CH2:3][c:4]1[c:5]([CH3:27])[cH:6][c:7]([C:10](=[O:11])[N:12]2[c:13]3[c:14]([cH:23][cH:24][cH:25][cH:26]3)-[c:15]3[o:16][c:17]([CH3:22])[n:18][c:19]3[CH2:20][CH2:21]2)[cH:8][cH:9]1)[C:45]([CH:42]1[CH2:41][CH2:40][N:39]([CH2:38][CH2:37][C:36]([CH3:35])([CH3:48])[CH3:49])[CH2:44][CH2:43]1)=[O:46]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 142844-(Dimethylamino)pyridineHCID 231123781-(3,3-Dimethylbutyl)piperidine-4-carboxylic acidHCID 57555237[4-(Aminomethyl)-3-methylphenyl]-(2-methyl-4,5-dihydro-[1,3]oxazolo[4,5-d][1]benzazepin-6-yl)methanone

Product 1

HCID 116423921-(3,3-Dimethyl-butyl)-piperidine-4-carboxylic Acid 2-methyl-4-(2-methyl-4,5-dihydro-1-oxa-3,6-diaza-benzo[e]azulene-6-carbonyl)-benzylamide

Sources & evidence

ORD record
ord-27cb8d0883df4ce8bf7f3a86bbe5a119
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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