Hydrochloric Acid → HCID 178431460, compound

HRID 124641Notes

Reaction equation

HRID 124641 reaction equation
[CH3:23][C:24]1([CH3:32])[O:25][CH2:26][CH:27]([CH2:29][O:30][NH2:31])[O:28]1.[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[c:3]([C:20](=[O:21])[OH:22])[c:4]([NH:11][c:12]2[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[n:5]2[cH:6][n:7][cH:8][cH:9][c:10]12.[ClH:54].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[Cl:1][c:2]1[c:3]([C:20](=[O:22])[NH:31][O:30][CH2:29][CH:27]2[CH2:26][O:25][C:24]([CH3:23])([CH3:32])[O:28]2)[c:4]([NH:11][c:12]2[c:13]([F:19])[cH:14][c:15]([I:18])[cH:16][cH:17]2)[n:5]2[cH:6][n:7][cH:8][cH:9][c:10]12

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 10240948O-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]hydroxylamineHCID 672348605-Chloro-7-(2-fluoro-4-iodo-phenylamino)-pyrrolo[1,2-c]pyrimidine-6-carboxylic acid

Product 1

HCID 178431460HCID 178431460, compound

Sources & evidence

ORD record
ord-86fb6ce3960249809a943313fd4665ed
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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