Hydrochloric Acid → 2-({3-Nitro-4-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]phenyl}carbonyl)benzoic acid

HRID 282815Notes

Reaction equation

HRID 282815 reaction equation
[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[Cl:19][c:20]1[c:21]([N+:37](=[O:38])[O-:39])[cH:22][c:23]([C:24](=[O:25])[c:26]2[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][cH:34]2)[cH:35][cH:36]1.[ClH:1].[NH:2]1[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:18])[O:10][CH2:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:6][CH2:7]1>>[N:2]1([c:20]2[c:21]([N+:37](=[O:38])[O-:39])[cH:22][c:23]([C:24](=[O:25])[c:26]3[c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32][cH:33][cH:34]3)[cH:35][cH:36]2)[CH2:3][CH2:4][CH:5]([N:8]2[C:9](=[O:18])[O:10][CH2:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[CH2:6][CH2:7]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 665622-(4-Chloro-3-nitrobenzoyl)benzoic acidHCID 107047401-(Piperidin-4-yl)-1h-benzo[d][1,3]oxazin-2(4h)-one

Product 1

HCID 99357602-({3-Nitro-4-[4-(2-oxo-2H-3,1-benzoxazin-1(4H)-yl)piperidin-1-yl]phenyl}carbonyl)benzoic acid

Sources & evidence

ORD record
ord-d4e3d45b94924d79afd5063653372f67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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