Dimethylformamide → HCID 178523172, compound

HRID 117818Notes

Reaction equation

HRID 117818 reaction equation
[CH3:53][CH2:54][N:55]=[C:56]=[N:57][CH2:58][CH2:59][CH2:60][N:61]([CH3:62])[CH3:63].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[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]([CH:15]([C:16](=[O:17])[OH:18])[OH:19])[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[cH:10]2.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:27][CH:28]1[CH2:29][NH:30][CH2:31][CH:32]1[OH:33].[OH:34][n:35]1[c:36]2[c:37]([cH:38][cH:39][cH:40][cH:41]2)[n:42][n:43]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]([CH:15]([C:16](=[O:17])[N:30]1[CH2:29][CH:28]([OH:27])[CH:32]([OH:33])[CH2:31]1)[OH:19])[CH2:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[cH:10]2

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 13329881Pyrrolidine-3,4-diolHCID 725527563-[(5-chloro-1H-pyrrolo[2,3-c]pyridine-2-carbonyl)amino]-2-hydroxy-4-phenylbutanoic acid

Product 1

HCID 178523172HCID 178523172, compound

Sources & evidence

ORD record
ord-7b8bc9ed3ae045cba084575e656b9c66
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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