Dimethyl Sulfoxide → 2-[5-(4-t-Butoxycarbonylhexahydro-1,4-diazepin-1-yl)pyrazin-2-ylcarbonylamino]-5-fluoro-N-(5-chloropyridin-2-yl)-benzamide

HRID 1549572Notes

Reaction equation

HRID 1549572 reaction equation
[C:28](=[O:29])([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[N:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40][CH2:41]1.[CH3:48][S:49]([CH3:50])=[O:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[c:12]([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:6][cH:7]1.[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[c:2]1([N:38]2[CH2:37][CH2:36][N:35]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:41][CH2:40][CH2:39]2)[n:3][cH:4][c:5]([C:8](=[O:9])[NH:10][c:11]2[c:12]([C:13](=[O:14])[NH:15][c:16]3[n:17][cH:18][c:19]([Cl:22])[cH:20][cH:21]3)[cH:23][c:24]([F:27])[cH:25][cH:26]2)[n:6][cH:7]1

Participants

6

Reactant 5

HCID 679Dimethyl SulfoxideHCID 1049PyridineHCID 8857Ethyl AcetateHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 111539812-(5-chloropyrazin-2-ylcarbonylamino)-5-fluoro-N-(5-chloropyridin-2-yl)benzamide

Product 1

HCID 111806062-[5-(4-t-Butoxycarbonylhexahydro-1,4-diazepin-1-yl)pyrazin-2-ylcarbonylamino]-5-fluoro-N-(5-chloropyridin-2-yl)-benzamide

Sources & evidence

ORD record
ord-07db2c640076466fa3fc373bbf7252d3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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