Hydrochloric Acid → [10-(2-Methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]-(4-pyridin-4-yl-piperazin-1-yl)-methanone

HRID 192390Notes

Reaction equation

HRID 192390 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.[CH3:61][N:62]([CH3:63])[CH2:64][CH2:65][CH2:66][N:67]=[C:68]=[N:69][CH2:70][CH3:71].[CH3:81][N:82]([CH3:83])[CH:84]=[O:85].[CH3:86][CH2:87][O:88][C:89](=[O:90])[CH3:91].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[ClH:60].[OH2:49].[OH:50][n:51]1[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[n:58][n:59]1.[n:37]1[cH:38][cH:39][c:40]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[cH:41][cH:42]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:46]4[CH2:45][CH2:44][N:43]([c:40]5[cH:39][cH:38][n:37][cH:42][cH:41]5)[CH2:48][CH2:47]4)[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

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 705171-(4-Pyridyl)piperazineHCID 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 10211489[10-(2-Methyl-2'-trifluoromethyl-biphenyl-4-carbonyl)-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl]-(4-pyridin-4-yl-piperazin-1-yl)-methanone

Sources & evidence

ORD record
ord-c02902ff24c6455f9d3212fb384f70d7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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