Hydrochloric Acid → 4-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-ylmethyl)-benzoic acid

HRID 1115602Notes

Reaction equation

HRID 1115602 reaction equation
[Br:33][CH2:34][c:35]1[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]1.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:1].[N:2]1([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[o:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][cH:14]2)[CH2:3][CH2:4][NH:5][CH2:6][CH2:7][CH2:8]1.[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[N:2]1([c:9]2[cH:10][cH:11][c:12]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:27]4[cH:28][cH:29][cH:30][cH:31][cH:32]4)[o:21][c:22]3[C:23]([F:24])([F:25])[F:26])[cH:13][cH:14]2)[CH2:3][CH2:4][N:5]([CH2:34][c:35]2[cH:36][cH:37][c:38]([C:39](=[O:40])[OH:41])[cH:42][cH:43]2)[CH2:6][CH2:7][CH2:8]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8471TriethylamineHCID 225994-(Bromomethyl)benzoic acidHCID 59185690HCID 59185690, compound

Product 1

HCID 591856734-(4-{4-[(2-Phenyl-5-trifluoromethyl-oxazole-4-carbonyl)-amino]-phenyl}-[1,4]diazepan-1-ylmethyl)-benzoic acid

Sources & evidence

ORD record
ord-7fdc3190fa8349a1a39bc0de102a3ec2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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