Hydrochloric Acid → Methyl 2-(3-(1-(tert-butoxycarbonyl) azetidin-3-ylcarbamoyl)phenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate

HRID 1571055Notes

Reaction equation

HRID 1571055 reaction equation
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2.[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][CH2:42][N:43]=[C:44]=[N:45][CH2:46][CH3:47].[CH3:48][N:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1.[Cl:67][CH2:68][Cl:69].[ClH:36].[NH2:55][CH:56]1[CH2:57][N:58]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:59]1.[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:12]([cH:13][cH:14]1)[NH:11][CH:10]([c:15]1[cH:16][c:17]([C:18](=[O:19])[NH:55][CH:56]3[CH2:57][N:58]([C:60](=[O:61])[O:62][C:63]([CH3:64])([CH3:65])[CH3:66])[CH2:59]3)[cH:21][cH:22][cH:23]1)[C:9]([CH3:24])([CH3:25])[CH2:8]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 1516507Tert-butyl 3-aminoazetidine-1-carboxylateHCID 674419763-(6-(Methoxycarbonyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinolin-2-yl)benzoic acid

Product 1

HCID 67441328Methyl 2-(3-(1-(tert-butoxycarbonyl) azetidin-3-ylcarbamoyl)phenyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoline-6-carboxylate

Sources & evidence

ORD record
ord-2ce73b3a6b5a434babb8aa4cd0c5a2fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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