Methanol → 2-[(1-tert-butoxycarbonylpiperidin-4-ylcarbonyl)amino]-N-(5-chloropyridin-2-yl)-5-iodobenzamide

HRID 92358Notes

Reaction equation

HRID 92358 reaction equation
[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:13])[OH:14])[CH2:15][CH2:16]1.[CH3:17][O-:18].[CH3:53][OH:54].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:55][CH2:56][Cl:57].[NH2:26][c:27]1[c:28]([C:29](=[O:30])[NH:31][c:32]2[n:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]2)[cH:39][c:40]([I:43])[cH:41][cH:42]1.[Na+:19]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([C:12](=[O:14])[NH:26][c:27]2[c:28]([C:29](=[O:30])[NH:31][c:32]3[n:33][cH:34][c:35]([Cl:38])[cH:36][cH:37]3)[cH:39][c:40]([I:43])[cH:41][cH:42]2)[CH2:15][CH2:16]1

Participants

11

Reactant 10

HCID 887MethanolHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 142844-(Dimethylamino)pyridineHCID 65578Oxalyl chlorideHCID 81531DiisopropylethylamineHCID 3928711-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acidHCID 3826051MethoxideHCID 219063772-amino-N-(5-chloropyridin-2-yl)-5-iodobenzamide

Product 1

HCID 219066352-[(1-tert-butoxycarbonylpiperidin-4-ylcarbonyl)amino]-N-(5-chloropyridin-2-yl)-5-iodobenzamide

Sources & evidence

ORD record
ord-07059d886d374cb0a3a9f644c71de81a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…