Hydrochloric Acid → Hydrochloric Acid

HRID 114758Notes

Reaction equation

HRID 114758 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][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([O:30][c:31]4[c:32]([F:54])[cH:33][c:34]([NH:37][C:38](=[O:39])[c:40]5[c:41]([CH3:53])[n:42]([CH3:52])[n:43](-[c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[c:44]5=[O:45])[cH:35][cH:36]4)[cH:25][cH:26][n:27][c:28]3[cH:29]2)[CH2:14][CH2:15]1)([CH3:5])([CH3:6])[CH3:7].[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[ClH:55]>>[ClH:55].[NH2:8][CH2:9][C:10](=[O:11])[O:12][C:13]1([CH2:16][CH2:17][CH2:18][O:19][c:20]2[cH:21][cH:22][c:23]3[c:24]([O:30][c:31]4[c:32]([F:54])[cH:33][c:34]([NH:37][C:38](=[O:39])[c:40]5[c:41]([CH3:53])[n:42]([CH3:52])[n:43](-[c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[c:44]5=[O:45])[cH:35][cH:36]4)[cH:25][cH:26][n:27][c:28]3[cH:29]2)[CH2:14][CH2:15]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl Acetate2×HCID 687430721-(3-(4-(4-(2,3-dimethyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-4-carboxamido)-2-fluorophenoxy)quinolin-7-yloxy)propyl)cyclopropyl 2-(tert-but-oxycarbonylamino)acetate

Product 2

HCID 313Hydrochloric AcidHCID 46938227[1-[3-[4-[4-[(1,5-Dimethyl-3-oxo-2-phenylpyrazole-4-carbonyl)amino]-2-fluorophenoxy]quinolin-7-yl]oxypropyl]cyclopropyl] 2-aminoacetate

Sources & evidence

ORD record
ord-e85d6dd96ce1407ab683e25fd012e464
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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