Methanol → HCID 22041351, compound

HRID 301766Notes

Reaction equation

HRID 301766 reaction equation
[C:1]([O:2][C:3]([c:4]1[cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([NH:12][CH3:13])[c:14]([NH2:15])[cH:16]2)[cH:17][cH:18][n:19]1)=[O:20])([CH3:21])([CH3:22])[CH3:23].[C:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)([CH3:34])([CH3:35])[CH3:36].[C:43]([CH3:44])([CH3:45])([CH3:46])[O:47][C:48](=[O:49])[c:50]1[n:51][cH:52][cH:53][c:54]([O:56][c:57]2[cH:58][c:59]3[c:60]([n:61]([CH3:75])[c:62]([NH:64][c:65]4[cH:66][c:67]([C:71]([CH3:72])([CH3:73])[CH3:74])[cH:68][cH:69][cH:70]4)[n:63]3)[cH:76][cH:77]2)[cH:55]1.[CH2:87]([Cl:88])[Cl:89].[CH3:85][OH:86].[I:41][CH3:42].[N-:24]=[C:25]=[S:26].[NH2:37][C:38](=[S:39])[NH2:40].[OH:78][C:79]([C:80]([F:81])([F:82])[F:83])=[O:84]>>[O:47]=[C:48]([OH:49])[c:50]1[n:51][cH:52][cH:53][c:54]([O:56][c:57]2[cH:58][c:59]3[c:60]([n:61]([CH3:75])[c:62]([NH:64][c:65]4[cH:66][c:67]([C:71]([CH3:72])([CH3:73])[CH3:74])[cH:68][cH:69][cH:70]4)[n:63]3)[cH:76][cH:77]2)[cH:55]1

Participants

10

Reactant 9

HCID 887MethanolHCID 6328Methyl iodideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 7366Tert-ButylbenzeneHCID 2723790ThioureaHCID 22040526Tert-butyl4-[3-amino-4-(methylamino)phenoxy]pyridine-2-carboxylateHCID 86592207Tert-butyl-4-(2-{[3-(tert-butyl)phenyl]amino)-1-methylbenzimidazol-5-yloxy)pyridine-2-carboxylateHCID 178418790HCID 178418790, compound

Product 1

HCID 22041351HCID 22041351, compound

Sources & evidence

ORD record
ord-ab0a26a817e64383aa77dcaa53e6bee0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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