Hydrochloric Acid → HCID 57874477, compound

HRID 1566377Notes

Reaction equation

HRID 1566377 reaction equation
[CH3:36][CH2:37][N:38]=[C:39]=[N:40][CH2:41][CH2:42][CH2:43][N:44]([CH3:45])[CH3:46].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:47].[F:10][c:11]1[cH:12][c:13](-[n:18]2[n:19][n:20][c:21]([C:23](=[O:24])[OH:25])[cH:22]2)[cH:14][c:15]([F:17])[cH:16]1.[NH2:48][CH2:49][C:50](=[O:51])[N:52]1[CH2:53][CH2:54][CH:55]([O:58][c:59]2[cH:60][n:61][cH:62][c:63]([Cl:65])[cH:64]2)[CH2:56][CH2:57]1.[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:71].[OH:26][n:27]1[c:28]2[c:29]([cH:30][cH:31][cH:32][cH:33]2)[n:34][n:35]1>>[F:10][c:11]1[cH:12][c:13](-[n:18]2[n:19][n:20][c:21]([C:23](=[O:25])[NH:48][CH2:49][C:50](=[O:51])[N:52]3[CH2:53][CH2:54][CH:55]([O:58][c:59]4[cH:60][n:61][cH:62][c:63]([Cl:65])[cH:64]4)[CH2:56][CH2:57]3)[cH:22]2)[cH:14][c:15]([F:17])[cH:16]1

Participants

9

Reactant 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 287431861-(3,5-difluorophenyl)-1H-1,2,3-triazole-4-carboxylic acidHCID 665916732-Amino-1-[4-[(5-chloro-3-pyridinyl)oxy]piperidin-1-yl]ethanone

Product 1

HCID 57874477HCID 57874477, compound

Sources & evidence

ORD record
ord-85ca1b6b9175424ea988c427b99dac67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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