Hydrochloric Acid → [2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl] 4-[5-(3-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate

HRID 159327Notes

Reaction equation

HRID 159327 reaction equation
[CH3:46][O:47][c:48]1[cH:49][c:50](-[c:51]2[nH:52][c:53](=[O:54])[n:55]([CH:56]3[CH2:57][CH2:58][NH:59][CH2:60][CH2:61]3)[cH:62]2)[cH:63][cH:64][cH:65]1.[ClH:45].[O:1]=[c:2]1[n:3]([CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]3[C:23](=[O:44])[N:24]([CH2:39][C:40]([F:41])([F:42])[F:43])[c:25]4[c:26]([cH:35][cH:36][cH:37][cH:38]4)[C:27]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[N:28]3)[CH2:17][CH2:18]2)[cH:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[nH:6]1>>[O:1]=[c:2]1[n:3]([CH:13]2[CH2:14][CH2:15][N:16]([C:19](=[O:20])[O:21][CH:22]3[C:23](=[O:44])[N:24]([CH2:39][C:40]([F:41])([F:42])[F:43])[c:25]4[c:26]([cH:35][cH:36][cH:37][cH:38]4)[C:27]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)=[N:28]3)[CH2:17][CH2:18]2)[cH:4][c:5](-[c:7]2[cH:8][c:9]([O:47][CH3:46])[cH:10][cH:11][cH:12]2)[nH:6]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 183215721,3-dihydro-4-(3-methoxyphenyl)-1-(4-piperidinyl)-2H-imidazol-2-oneHCID 57979572[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl] 4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxylate

Product 1

HCID 57979571[2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl] 4-[5-(3-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate

Sources & evidence

ORD record
ord-74bbb72c42364df384bcb6ed548cda82
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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