Hydrochloric Acid → HCID 42637860, compound

HRID 1233814Notes

Reaction equation

HRID 1233814 reaction equation
[CH2:36]([N:37]=[C:38]=[N:39][CH2:40][CH2:41][CH2:42][N:43]([CH3:44])[CH3:45])[CH3:46].[CH3:48][O:49][C:50]([CH2:51][CH2:52][NH2:53])=[O:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([c:9]2[s:10][cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]3)[n:13]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)[cH:6][cH:7]1.[ClH:35].[ClH:47].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:8]([c:9]2[s:10][cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([O:20][C:21]([F:22])([F:23])[F:24])[cH:18][cH:19]3)[n:13]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:32])[NH:53][CH2:52][CH2:51][C:50]([O:49][CH3:48])=[O:54])[cH:33][cH:34]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 192794Methyl beta-alanateHCID 224963614-{[(4-Chlorophenyl){4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl}amino]methyl}benzoic acid

Product 1

HCID 42637860HCID 42637860, compound

Sources & evidence

ORD record
ord-e46c3a612e6f4851bffcac8f9677519d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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