Hydrochloric Acid → HCID 57874481, compound

HRID 2125186Notes

Reaction equation

HRID 2125186 reaction equation
[CH3:43][CH2:44][N:45]=[C:46]=[N:47][CH2:48][CH2:49][CH2:50][N:51]([CH3:52])[CH3:53].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:54].[F:10][c:11]1[cH:12][c:13](-[n:17]2[n:18][n:19][c:20]([C:22](=[O:23])[OH:24])[cH:21]2)[cH:14][n:15][cH:16]1.[NH2:25][c:26]1[cH:27][n:28][cH:29][c:30]([F:31])[cH:32]1.[NH2:55][CH2:56][C:57](=[O:58])[N:59]1[CH2:60][CH2:61][CH:62]([O:65][c:66]2[c:67]([Cl:72])[cH:68][cH:69][cH:70][cH:71]2)[CH2:63][CH2:64]1.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH2:78].[OH:33][n:34]1[c:35]2[c:36]([cH:37][cH:38][cH:39][cH:40]2)[n:41][n:42]1>>[F:10][c:11]1[cH:12][c:13](-[n:17]2[n:18][n:19][c:20]([C:22](=[O:24])[NH:55][CH2:56][C:57](=[O:58])[N:59]3[CH2:60][CH2:61][CH:62]([O:65][c:66]4[c:67]([Cl:72])[cH:68][cH:69][cH:70][cH:71]4)[CH2:63][CH2:64]3)[cH:21]2)[cH:14][n:15][cH:16]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 5744505-Fluoro-3-pyridinamineHCID 593762772-Amino-1-[4-(2-chlorophenoxy)piperidin-1-yl]ethanoneHCID 665917781-(5-Fluoro-3-pyridinyl)-1H-1,2,3-triazole-4-carboxylic acid

Product 1

HCID 57874481HCID 57874481, compound

Sources & evidence

ORD record
ord-bca3a822e8c6478688049563d4a299f4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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