Hydrochloric Acid → HCID 68971401, compound

HRID 300350Notes

Reaction equation

HRID 300350 reaction equation
[C:1]([O:2][C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([N:18]([c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:27][c:28]2[n:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[CH2:16][CH2:17]1)=[O:36])([CH3:3])([CH3:4])[CH3:5].[C:59](#[N:60])[c:61]1[n:62][c:63]([CH3:71])[c:64]([C:65]([OH:66])=[O:67])[c:68]([CH3:70])[cH:69]1.[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[ClH:58].[F:84][C:85]([F:86])([F:87])[C:88]([OH:89])=[O:90].[O:91]=[CH:92][N:93]([CH3:94])[CH3:95].[OH:48][n:49]1[c:50]2[c:51]([cH:52][cH:53][cH:54][cH:55]2)[n:56][n:57]1>>[C:6]([NH:7][CH2:8][CH2:9][CH:10]([CH3:11])[N:12]1[CH2:13][CH2:14][CH:15]([N:18]([c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:27][c:28]2[n:29][c:30]([C:34]#[N:35])[cH:31][cH:32][cH:33]2)[CH2:16][CH2:17]1)(=[O:36])[c:64]1[c:63]([CH3:71])[n:62][c:61]([C:59]#[N:60])[cH:69][c:68]1[CH3:70]

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 574315506-cyano-2,4-dimethyl-3-PyridinecarboxylicacidHCID 68973523tert-butyl N-[3-[4-[N-[(6-cyano-2-pyridinyl)methyl]-4-methoxyanilino]piperidin-1-yl]butyl]carbamate

Product 1

HCID 68971401HCID 68971401, compound

Sources & evidence

ORD record
ord-34499a53d8a54c9abccbefd4aff1851f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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