Hydrochloric Acid → Hydrochloric Acid

HRID 108328Notes

Reaction equation

HRID 108328 reaction equation
[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[ClH:51].[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:44])[cH:30][cH:31][c:32]4[c:33]([CH:40]([CH2:41][CH3:42])[OH:43])[cH:34][c:35]([O:38][CH3:39])[cH:36][c:37]34)[CH2:24][CH2:25]1)[cH:10]2.[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[ClH:51].[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:44])[cH:30][cH:31][c:32]4[c:33]([CH:40]([CH2:41][CH3:42])[OH:43])[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 312751,4-Dioxane2×HCID 59398004tert-butyl (2,3-dihydro-1,4-benzodioxin-6-ylmethyl)(1-(2-(5-(1-hydroxypropyl)-7-methoxy-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)carbamate

Product 2

HCID 313Hydrochloric AcidHCID 593983401-[2-[4-(2,3-Dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-5-(1-hydroxypropyl)-7-methoxyquinolin-2-one

Sources & evidence

ORD record
ord-c0e7b5d10e8a4cc1bdaba45bba9aca4f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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