Hydrochloric Acid → HCID 178523225, compound

HRID 302420Notes

Reaction equation

HRID 302420 reaction equation
[CH3:51][CH2:52][N:53]=[C:54]=[N:55][CH2:56][CH2:57][CH2:58][N:59]([CH3:60])[CH3:61].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][n:7]1)[nH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[OH:17])[CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[cH:10]2.[ClH:26].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH:27][CH:28]1[CH2:29][NH:30][CH2:31]1.[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([cH:6][n:7]1)[nH:8][c:9]([C:11](=[O:12])[NH:13][CH:14]([C:15](=[O:16])[N:30]1[CH2:29][CH:28]([OH:27])[CH2:31]1)[CH2:18][c:19]1[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]1)[cH:10]2

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 15142903-HydroxyazetidineHCID 725528572-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-3-(4-fluorophenyl)propanoic acid

Product 1

HCID 178523225HCID 178523225, compound

Sources & evidence

ORD record
ord-96e1db74798b4ce09f2ecf4ba242b52f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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