Hydrochloric Acid → Hydrochloric Acid

HRID 1542709Notes

Reaction equation

HRID 1542709 reaction equation
[C:1]([O:2][C:3](=[O:4])[NH:8][CH2:9][C:10](=[O:11])[O:12][C:13]1([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]3[c:22]([O:28][c:29]4[c:30]([F:52])[cH:31][c:32]([NH:35][C:36](=[O:37])[c:38]5[c:39](=[O:51])[n:40](-[c:45]6[cH:46][cH:47][cH:48][cH:49][cH:50]6)[n:41]([CH3:44])[c:42]5[CH3:43])[cH:33][cH:34]4)[cH:23][cH:24][n:25][c:26]3[cH:27]2)[CH2:14][CH2:15]1)([CH3:5])([CH3:6])[CH3:7].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[ClH:53]>>[ClH:53].[NH2:8][CH2:9][C:10](=[O:11])[O:12][C:13]1([CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]3[c:22]([O:28][c:29]4[c:30]([F:52])[cH:31][c:32]([NH:35][C:36](=[O:37])[c:38]5[c:39](=[O:51])[n:40](-[c:45]6[cH:46][cH:47][cH:48][cH:49][cH:50]6)[n:41]([CH3:44])[c:42]5[CH3:43])[cH:33][cH:34]4)[cH:23][cH:24][n:25][c:26]3[cH:27]2)[CH2:14][CH2:15]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 666938521-((4-(4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamido)-2-fluorophenoxy)quinolin-7-yloxy)methyl)cyclopropyl 2-(tert-butoxycarbonylamino)acetate

Product 2

HCID 313Hydrochloric AcidHCID 59491015[1-[[4-[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]quinolin-7-yl]oxymethyl]cyclopropyl] 2-aminoacetate

Sources & evidence

ORD record
ord-7524dcfcef034262940e7bc25a4188f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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