Hydrochloric Acid → N-(5-(7-((4-oxaspiro[2.4]heptane-6-yl)aminopropoxy)quinolin-4-yloxy)pyridin-2-yl)-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxamide

HRID 2142116Notes

Reaction equation

HRID 2142116 reaction equation
[CH2:1]1[CH2:2][C:3]12[O:4][CH2:5][CH:6]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH2:16][CH2:17][CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]3[c:24]([O:30][c:31]4[cH:32][cH:33][c:34]([NH:37][C:38](=[O:39])[c:40]5[c:41](=[O:53])[n:42](-[c:47]6[cH:48][cH:49][cH:50][cH:51][cH:52]6)[n:43]([CH3:46])[c:44]5[CH3:45])[n:35][cH:36]4)[cH:25][cH:26][n:27][c:28]3[cH:29]1)[CH2:7]2.[CH2:55]1[O:56][CH2:57][CH2:58][CH2:59]1.[CH2:65]1[O:66][CH2:67][CH2:68][CH2:69]1.[ClH:54].[Na+:64].[O-:60][C:61]([OH:62])=[O:63]>>[CH2:1]1[CH2:2][C:3]12[O:4][CH2:5][CH:6]([NH:8][CH2:16][CH2:17][CH2:18][O:19][c:20]1[cH:21][cH:22][c:23]3[c:24]([O:30][c:31]4[cH:32][cH:33][c:34]([NH:37][C:38](=[O:39])[c:40]5[c:41](=[O:53])[n:42](-[c:47]6[cH:48][cH:49][cH:50][cH:51][cH:52]6)[n:43]([CH3:46])[c:44]5[CH3:45])[n:35][cH:36]4)[cH:25][cH:26][n:27][c:28]3[cH:29]1)[CH2:7]2

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 769Bicarbonate IonHCID 923Sodium ionHCID 8028Tetrahydrofuran2×HCID 59278578HCID 59278578, compound

Product 1

HCID 46202280N-(5-(7-((4-oxaspiro[2.4]heptane-6-yl)aminopropoxy)quinolin-4-yloxy)pyridin-2-yl)-2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carboxamide

Sources & evidence

ORD record
ord-92e98a3730504e08b6c771f52446e8b3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…