Acetonitrile → Hydrochloric Acid

HRID 117020Notes

Reaction equation

HRID 117020 reaction equation
[CH3:33][O:34][CH2:35][CH2:36][N:37]1[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]1.[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[CH3:50][C:51]#[N:52].[Cl:1][CH2:2][C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11](-[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:12](=[O:24])[c:13]2[c:14]([F:23])[cH:15][cH:16][c:17]([O:19][CH2:20][CH2:21][CH3:22])[c:18]12>>[CH2:2]([C:3](=[O:4])[NH:5][CH2:6][CH2:7][CH2:8][n:9]1[cH:10][c:11](-[c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[c:12](=[O:24])[c:13]2[c:14]([F:23])[cH:15][cH:16][c:17]([O:19][CH2:20][CH2:21][CH3:22])[c:18]12)[N:40]1[CH2:39][CH2:38][N:37]([CH2:36][CH2:35][O:34][CH3:33])[CH2:42][CH2:41]1.[ClH:1]

Participants

6

Reactant 4

HCID 6342AcetonitrileHCID 8471TriethylamineHCID 27346381-(2-Methoxyethyl)piperazineHCID 584925612-chloro-N-{3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxy-4H-quinolin-1-yl]propyl}acetamide

Product 2

HCID 313Hydrochloric AcidHCID 58492598N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]-2-[4-(2-methoxyethyl)piperazin-1-yl]acetamide

Sources & evidence

ORD record
ord-bb32d69d14e04349a864ac2751d9c029
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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