Hydrochloric Acid → 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid

HRID 2138371Notes

Reaction equation

HRID 2138371 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[N:15]([C:38]([CH:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[NH:44][C:45](=[O:46])[O:47][CH3:48])=[O:49])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:59][OH:60].[ClH:53].[Li+:52].[OH-:51].[OH2:50].[OH2:61]>>[O:3]=[C:4]([OH:5])[C:6]1([NH:11][C:12](=[O:13])[CH:14]2[N:15]([C:38]([CH:39]([C:40]([CH3:41])([CH3:42])[CH3:43])[NH:44][C:45](=[O:46])[O:47][CH3:48])=[O:49])[CH2:16][CH:17]([O:19][c:20]3[cH:21][c:22](-[c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)[n:23][c:24]4[cH:25][c:26]([O:30][CH3:31])[cH:27][cH:28][c:29]34)[CH2:18]2)[CH:7]([CH:9]=[CH2:10])[CH2:8]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 66670071HCID 66670071, compound

Product 1

HCID 219010671-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid

Sources & evidence

ORD record
ord-332f60676367401081b1ee39f7b776ee
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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