Hydrochloric Acid → Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-((1-(2-(4-nitrophenyl)ethyl)-4-piperidinyl)oxy)-2-oxoethyl ester

HRID 2343204Notes

Reaction equation

HRID 2343204 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([NH:36][c:37]3[c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43][cH:44][cH:45]3)[cH:31][cH:32][n:33][c:34]2[cH:35]1.[Cl:2][CH2:3][C:4](=[O:5])[O:6][CH:7]1[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[CH2:11][CH2:12]1.[ClH:1].[K+:50].[K+:51].[Na:24]>>[CH2:3]([C:4](=[O:5])[O:6][CH:7]1[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([N+:21](=[O:22])[O-:23])[cH:19][cH:20]2)[CH2:11][CH2:12]1)[O:41][C:39]([c:38]1[c:37]([NH:36][c:30]2[c:29]3[cH:28][cH:27][c:26]([Cl:25])[cH:35][c:34]3[n:33][cH:32][cH:31]2)[cH:45][cH:44][cH:43][cH:42]1)=[O:40]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 160940Glafenic acidHCID 5360545SodiumHCID 20438884HCID 20438884, compound

Product 1

HCID 3070495Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-((1-(2-(4-nitrophenyl)ethyl)-4-piperidinyl)oxy)-2-oxoethyl ester

Sources & evidence

ORD record
ord-9f478b4dd7e04a4ba6293e767a8af4d8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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