Hydrochloric Acid → HCID 10232240, compound

HRID 2329232Notes

Reaction equation

HRID 2329232 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.[CH3:56][N:57]([CH3:58])[CH2:59][CH2:60][CH2:61][N:62]=[C:63]=[N:64][CH2:65][CH3:66].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[CH3:81][CH2:82][O:83][C:84](=[O:85])[CH3:86].[CH:67]([N:68]([CH2:69][CH3:70])[CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[ClH:55].[NH2:37][C:38]([CH2:39][OH:40])([CH2:41][OH:42])[CH2:43][OH:44].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]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])[NH:37][C:38]([CH2:39][OH:40])([CH2:41][OH:42])[CH2:43][OH:44])[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 6503Tris(hydroxymethyl)aminomethaneHCID 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 10232240HCID 10232240, compound

Sources & evidence

ORD record
ord-27322b3825184b068154e749c3a53581
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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