Benzoic Acid → methyl N-((6-chloro-4-hydroxy-2-oxo-1'-(phenylcarbonyl)-spiro[naphthalene-1,4'-piperidin]-3-yl)carbonyl)glycinate

HRID 108938Notes

Reaction equation

HRID 108938 reaction equation
[CH3:51][S:52]([CH3:53])=[O:54].[CH3:60][CH2:61][O:62][C:63]([CH3:64])=[O:65].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[C:9]1([C:8](=[O:18])[C:7]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])=[C:6]2[OH:27])[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1.[ClH:1].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH:37][C:38](=[O:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[Cl:2][c:3]1[cH:4][c:5]2[c:10]([cH:11][cH:12]1)[C:9]1([C:8](=[O:18])[C:7]([C:19](=[O:20])[NH:21][CH2:22][C:23](=[O:24])[O:25][CH3:26])=[C:6]2[OH:27])[CH2:13][CH2:14][N:15]([C:38](=[O:37])[c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[CH2:16][CH2:17]1

Participants

8

Reactant 7

HCID 243Benzoic AcidHCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 6228Dimethylformamide2×HCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 67099723Methyl N-((6-chloro-4-hydroxy-2-oxo-spiro[naphthalene-1,4'-piperidin]-3-yl)carbonyl)glycinate

Product 1

HCID 67100267methyl N-((6-chloro-4-hydroxy-2-oxo-1'-(phenylcarbonyl)-spiro[naphthalene-1,4'-piperidin]-3-yl)carbonyl)glycinate

Sources & evidence

ORD record
ord-87ef8dd8fe0b41059474a93998a5db44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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