Hydrochloric Acid → Hydrochloric Acid

HRID 213068Notes

Reaction equation

HRID 213068 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][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([O:29][c:30]4[c:31]([F:53])[cH:32][c:33]([NH:36][C:37](=[O:38])[c:39]5[c:40](=[O:52])[n:41](-[c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[n:42]([CH3:45])[c:43]5[CH3:44])[cH:34][cH:35]4)[cH:24][cH:25][n:26][c:27]3[cH:28]2)[CH2:14][CH2:15]1)([CH3:5])([CH3:6])[CH3:7].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[ClH:54]>>[ClH:54].[NH2:8][CH2:9][C:10](=[O:11])[O:12][C:13]1([CH2:16][CH2:17][O:18][c:19]2[cH:20][cH:21][c:22]3[c:23]([O:29][c:30]4[c:31]([F:53])[cH:32][c:33]([NH:36][C:37](=[O:38])[c:39]5[c:40](=[O:52])[n:41](-[c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[n:42]([CH3:45])[c:43]5[CH3:44])[cH:34][cH:35]4)[cH:24][cH:25][n:26][c:27]3[cH:28]2)[CH2:14][CH2:15]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 666938911-(2-(4-(4-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamido)-2-fluorophenoxy)quinolin-7-yloxy)ethyl)cyclopropyl 2-(tert-butoxy-carbonylamino)acetate

Product 2

HCID 313Hydrochloric AcidHCID 46938181[1-[2-[4-[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]quinolin-7-yl]oxyethyl]cyclopropyl] 2-aminoacetate

Sources & evidence

ORD record
ord-8c66719ea909412599a39a0a29480bbd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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