Hydrochloric Acid → Hydrochloric Acid

HRID 200119Notes

Reaction equation

HRID 200119 reaction equation
[C:46]([O:47][CH2:48][CH3:49])(=[O:50])[CH3:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[ClH:52].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][N:12]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][n:28]3[c:29](=[O:45])[cH:30][cH:31][c:32]4[c:33]([C:40]([CH2:41][CH3:42])=[N:43][OH:44])[cH:34][c:35]([O:38][CH3:39])[cH:36][c:37]34)[CH2:24][CH2:25]1)[cH:10]2>>[ClH:52].[O:1]1[CH2:2][CH2:3][O:4][c:5]2[c:6]1[cH:7][cH:8][c:9]([CH2:11][NH:12][CH:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][n:28]3[c:29](=[O:45])[cH:30][cH:31][c:32]4[c:33]([C:40]([CH2:41][CH3:42])=[N:43][OH:44])[cH:34][c:35]([O:38][CH3:39])[cH:36][c:37]34)[CH2:24][CH2:25]1)[cH:10]2

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 72288052tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(5-(1-(hydroxyimino)propyl)-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Product 2

HCID 313Hydrochloric AcidHCID 722880591-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-5-(C-ethyl-N-hydroxycarbonimidoyl)-7-methoxyquinolin-2-one

Sources & evidence

ORD record
ord-4a39633677b543b689b9bdaf0bac082b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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