Isopropanol → HCID 57897141, compound

HRID 1227751Notes

Reaction equation

HRID 1227751 reaction equation
[Br:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH:18]([c:19]3[cH:20][cH:21][cH:22][cH:23][n:24]3)[CH3:25])[CH2:16][CH2:17]2)[c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[n:6][cH:7]1.[Br:56][c:57]1[c:58]([Cl:59])[c:60]([N+:61]([O-:62])=[O:63])[c:64]([NH2:65])[n:66][cH:67]1.[Br:74][c:75]1[cH:76][cH:77][cH:78][cH:79][n:80]1.[CH2:68]1[NH:69][CH2:70][CH2:71][NH:72][CH2:73]1.[CH:81]([OH:82])([CH3:83])[CH3:84].[CH:85]([N:86]([CH2:87][CH3:88])[CH:89]([CH3:90])[CH3:91])([CH3:92])[CH3:93].[Cl:94][CH2:95][Cl:96].[F:49][C:50]([F:51])([F:52])[C:53]([OH:54])=[O:55].[O:26]1[CH2:27][O:28][c:29]2[c:30]1[cH:31][cH:32][cH:33][c:34]2[CH2:35][N:36]1[CH2:37][CH2:38][N:39]([C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH2:47][CH2:48]1>>[Br:1][c:2]1[c:3]([N:12]2[CH2:13][CH2:14][N:15]([CH2:35][c:34]3[c:29]4[c:30]([cH:31][cH:32][cH:33]3)[O:26][CH2:27][O:28]4)[CH2:16][CH2:17]2)[c:4]([N+:9](=[O:10])[O-:11])[c:5]([NH2:8])[n:6][cH:7]1

Participants

10

Reactant 9

HCID 3776IsopropanolHCID 4837PiperazineHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 79732-BromopyridineHCID 81531DiisopropylethylamineHCID 454802365-Bromo-4-chloro-3-nitropyridin-2-amineHCID 578971485-Bromo-3-nitro-4-(4-(1-(pyridin-2-yl)ethyl)piperazin-1-yl)pyridin-2-amineHCID 57897236HCID 57897236, compound

Product 1

HCID 57897141HCID 57897141, compound

Sources & evidence

ORD record
ord-85a0160f262f46b9a1bbe11ea891f2a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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