N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamide → 5-{4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-thiophene-2-sulfonic-acid tert-butylamide

HRID 145301Notes

Reaction equation

HRID 145301 reaction equation
[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][S:33](=[O:34])(=[O:35])[c:36]1[s:37][c:38]([B:41]2[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]2)[cH:39][cH:40]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][n:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:7]1>>[c:2]1(-[c:38]2[s:37][c:36]([S:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])(=[O:34])=[O:35])[cH:40][cH:39]2)[n:3][cH:4][cH:5][c:6](-[c:8]2[n:9][c:10](-[c:18]3[cH:19][n:20][c:21]([C:24]([F:25])([F:26])[F:27])[cH:22][cH:23]3)[cH:11][c:12]([C:14]([F:15])([F:16])[F:17])[n:13]2)[cH:7]1

Participants

3

Reactant 2

HCID 57468817N-tert-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophene-2-sulfonamideHCID 866246292-(2-Chloro-pyridin-4-yl)-4-trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidine

Product 1

HCID 866246405-{4-[4-Trifluoromethyl-6-(6-trifluoromethyl-pyridin-3-yl)-pyrimidin-2-yl]-pyridin-2-yl}-thiophene-2-sulfonic-acid tert-butylamide

Sources & evidence

ORD record
ord-e509daa0caac42c4a6eb4c2bd020aafd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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