Hydrochloric Acid → 10-[(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid bis-(2-hydroxy-ethyl)-amide

HRID 316577Notes

Reaction equation

HRID 316577 reaction equation
[CH3:1][c:2]1[c:3](-[c:27]2[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[n:13]([c:21]([C:24](=[O:25])[OH:26])[cH:22][cH:23]3)[CH2:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:7]1.[CH3:55][N:56]([CH3:57])[CH2:58][CH2:59][CH2:60][N:61]=[C:62]=[N:63][CH2:64][CH3:65].[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH3:80][CH2:81][O:82][C:83](=[O:84])[CH3:85].[CH:66]([N:67]([CH2:68][CH3:69])[CH:70]([CH3:71])[CH3:72])([CH3:73])[CH3:74].[ClH:54].[OH:37][CH2:38][CH2:39][NH:40][CH2:41][CH2:42][OH:43].[OH:44][n:45]1[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[CH3:1][c:2]1[c:3](-[c:27]2[c:28]([C:33]([F:34])([F:35])[F:36])[cH:29][cH:30][cH:31][cH:32]2)[cH:4][cH:5][c:6]([C:8](=[O:9])[N:10]2[CH2:11][c:12]3[n:13]([c:21]([C:24](=[O:25])[N:40]([CH2:39][CH2:38][OH:37])[CH2:41][CH2:42][OH:43])[cH:22][cH:23]3)[CH2:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 8113DiethanolamineHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 1027808210-(2-methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid

Product 1

HCID 1021026710-[(2-Methyl-2'-trifluoromethyl-[1,1'-biphenyl]-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylic acid bis-(2-hydroxy-ethyl)-amide

Sources & evidence

ORD record
ord-487c4169f0544c8b841d0c408a98931f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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