Hydrochloric Acid → Hydrochloric Acid

HRID 96841Notes

Reaction equation

HRID 96841 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:7]([CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]2[c:17](=[O:32])[cH:18][cH:19][c:20]3[c:21]([CH:28]([CH2:29][CH3:30])[OH:31])[cH:22][c:23]([O:26][CH3:27])[cH:24][c:25]23)[CH2:12][CH2:13]1)[CH2:33][c:34]1[cH:35][c:36]2[c:37]([cH:42][cH:43]1)[O:38][CH2:39][CH2:40][O:41]2)([CH3:5])([CH3:6])[CH3:44].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[ClH:51].[O:45]1[CH2:46][CH2:47][O:48][CH2:49][CH2:50]1>>[ClH:51].[NH:7]([CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][n:16]2[c:17](=[O:32])[cH:18][cH:19][c:20]3[c:21]([CH:28]([CH2:29][CH3:30])[OH:31])[cH:22][c:23]([O:26][CH3:27])[cH:24][c:25]23)[CH2:12][CH2:13]1)[CH2:33][c:34]1[cH:35][c:36]2[c:37]([cH:42][cH:43]1)[O:38][CH2:39][CH2:40][O:41]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-302b4bc457624d0caa7232eab233012e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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