Hydrochloric Acid → 1-(2-(4-((Tert-butoxycarbonyl) (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinoline-5-carboxylic acid

HRID 1118639Notes

Reaction equation

HRID 1118639 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:33])[cH:19][cH:20][c:21]3[c:22]([C:29](=[O:30])[O:31][CH3:32])[cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]23)[CH2:13][CH2:14]1)[CH2:34][c:35]1[cH:36][c:37]2[c:38]([cH:43][cH:44]1)[O:39][CH2:40][CH2:41][O:42]2.[CH3:48][OH:49].[ClH:47].[Na+:46].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH-:45].[OH2:55]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]1[CH2:10][CH2:11][N:12]([CH2:15][CH2:16][n:17]2[c:18](=[O:33])[cH:19][cH:20][c:21]3[c:22]([C:29](=[O:30])[OH:31])[cH:23][c:24]([O:27][CH3:28])[cH:25][c:26]23)[CH2:13][CH2:14]1)[CH2:34][c:35]1[cH:36][c:37]2[c:38]([cH:43][cH:44]1)[O:39][CH2:40][CH2:41][O:42]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 59398062HCID 59398062, compound

Product 1

HCID 593980221-(2-(4-((Tert-butoxycarbonyl) (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)amino)piperidin-1-yl)ethyl)-7-methoxy-2-oxo-1,2-dihydroquinoline-5-carboxylic acid

Sources & evidence

ORD record
ord-f05a27c93e10495da8177955800ad90b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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