HCID 66820135, compound → HCID 59586520, compound

HRID 241132Notes

Reaction equation

HRID 241132 reaction equation
Br[C:2]1[CH:3]=[C:4]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])[C:5]([NH:8][CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[N:6][CH:7]=1.[CH3:21][C:22]1([CH3:46])[CH2:31][CH2:30][C:29]2[N:28]=[CH:27][N:26]=[C:25]([N:32]3[CH2:38][C:37]4[CH:39]=[C:40](B(O)O)[CH:41]=[CH:42][C:36]=4[O:35][CH2:34][CH2:33]3)[C:24]=2[CH2:23]1>>[CH3:21][C:22]1([CH3:46])[CH2:31][CH2:30][C:29]2[N:28]=[CH:27][N:26]=[C:25]([N:32]3[CH2:38][C:37]4[CH:39]=[C:40]([C:2]5[CH:3]=[C:4]([NH:16][S:17]([CH3:20])(=[O:19])=[O:18])[C:5]([NH:8][CH2:9][C:10]6[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=6)=[N:6][CH:7]=5)[CH:41]=[CH:42][C:36]=4[O:35][CH2:34][CH2:33]3)[C:24]=2[CH2:23]1

Participants

3

Reactant 2

HCID 66820135HCID 66820135, compoundHCID 66820411[4-(6,6-Dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]boronic acid

Product 1

HCID 59586520HCID 59586520, compound

Procedure

Prepared according to the method of example 5 by using N-{5-bromo-2-[(phenylmethyl)amino]pyridin-3-yl}methanesulfonamide (reagent preparation 39) and [4-(6,6-dimethyl-5,6,7,8-tetrahydroquinazolin-4-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]boronic acid (reagent preparation 23) in step 1. 1H NMR (400 MHz, Methanol-D4): 8.26 (s, 1H), 8.06 (s, 1H), 7.64 (s, 1H), 7.37 to 7.08 (m, 7H), 6.94 (d, 1H), 4.59 (s, 2H), 4.57 (s, 2H), 4.20 (m, 2H), 3.85 (m, 2H), 2.91 (s, 3H), 2.67 (t, 2H), 2.36 (s, 1.59 (t, 2H), 1.21 (s, 6H), 0.82 (s, 6H); MS (EI) for C32H36N6O3S: 585 (MH+).

Workup

  1. customPrepared

Sources & evidence

ORD record
ord-f4536ea5df184e9abb5fa2bf968d2acd
Source dataset
uspto-grants-2014_02
Patent number
US08648066B2

Reaction notes

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