Hydrochloric Acid → N-[1-(2-Benzyloxy-ethyl)-2-oxo-5-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-hydroxy-2-methyl-N'-(2,2,3,3,3-pentafluoro-propyl)-malonamide

HRID 318486Notes

Reaction equation

HRID 318486 reaction equation
[ClH:1].[NH2:2][CH:3]1[CH2:4][N:5]([CH2:25][C:26]([F:27])([F:28])[F:29])[c:6]2[c:7]([cH:21][cH:22][cH:23][cH:24]2)[N:8]([CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C:9]1=[O:10].[OH:30][C:31]([C:32](=[O:33])[OH:34])([C:35](=[O:36])[NH:37][CH2:38][C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45])[CH3:46].[OH:47][n:48]1[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH:2]([CH:3]1[CH2:4][N:5]([CH2:25][C:26]([F:27])([F:28])[F:29])[c:6]2[c:7]([cH:21][cH:22][cH:23][cH:24]2)[N:8]([CH2:11][CH2:12][O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[C:9]1=[O:10])[C:32]([C:31]([OH:30])([C:35](=[O:36])[NH:37][CH2:38][C:39]([C:40]([F:41])([F:42])[F:43])([F:44])[F:45])[CH3:46])=[O:33]

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 757711-HydroxybenzotriazoleHCID 21091408HCID 21091408, compoundHCID 597186803-Amino-5-(2-phenylmethoxyethyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1,5-benzodiazepin-4-one

Product 1

HCID 59718690N-[1-(2-Benzyloxy-ethyl)-2-oxo-5-(2,2,2-trifluoro-ethyl)-2,3,4,5-tetrahydro-1H-benzo[b][1,4]diazepin-3-yl]-2-hydroxy-2-methyl-N'-(2,2,3,3,3-pentafluoro-propyl)-malonamide

Sources & evidence

ORD record
ord-694d2d22a6a54628aee905117427cbf9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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