Hydrochloric Acid → 1-[2-Oxo-2-(4-{5-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyridin-2-yl}-[1,4]diazepan-1-yl)-ethyl]-cyclopentanecarboxylic acid

HRID 1127177Notes

Reaction equation

HRID 1127177 reaction equation
[C:73]1(=[O:83])[O:74][C:75](=[O:82])[CH2:76][C:77]12[CH2:78][CH2:79][CH2:80][CH2:81]2.[CH3:1][C:2]([CH3:3])([CH2:4][C:5](=[O:6])[N:7]1[CH2:8][CH2:9][CH2:10][N:11]([c:12]2[cH:13][cH:14][c:15]([NH:16][C:17]([c:18]3[n:19][c:20](-[c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[o:27][c:28]3[C:29]([F:30])([F:31])[F:32])=[O:33])[cH:34][cH:35]2)[CH2:36][CH2:37]1)[C:38]([OH:39])=[O:40].[ClH:41].[N:42]1([c:49]2[cH:50][cH:51][c:52]([NH:55][C:56](=[O:57])[c:58]3[n:59][c:60](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:61][c:62]3[C:63]([F:64])([F:65])[F:66])[cH:53][n:54]2)[CH2:43][CH2:44][NH:45][CH2:46][CH2:47][CH2:48]1>>[N:42]1([c:49]2[cH:50][cH:51][c:52]([NH:55][C:56](=[O:57])[c:58]3[n:59][c:60](-[c:67]4[cH:68][cH:69][cH:70][cH:71][cH:72]4)[o:61][c:62]3[C:63]([F:64])([F:65])[F:66])[cH:53][n:54]2)[CH2:43][CH2:44][N:45]([C:75]([CH2:76][C:77]2([C:73](=[O:74])[OH:83])[CH2:78][CH2:79][CH2:80][CH2:81]2)=[O:82])[CH2:46][CH2:47][CH2:48]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 27371022-oxaspiro[4.4]nonane-1,3-dioneHCID 446228282,2-Dimethyl-4-oxo-4-(4-{4-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-yl)-butyric acidHCID 59185685N-(6-(1,4-diazepan-1-yl)pyridin-3-yl)-2-phenyl-5-(trifluoromethyl)oxazole-4-carboxamide

Product 1

HCID 591856891-[2-Oxo-2-(4-{5-[(2-phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-pyridin-2-yl}-[1,4]diazepan-1-yl)-ethyl]-cyclopentanecarboxylic acid

Sources & evidence

ORD record
ord-4316259cac8246ad830afdf9ef66624a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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