HCID 57522623, compound → HCID 66830179, compound

HRID 1687378Notes

Reaction equation

HRID 1687378 reaction equation
[CH3:1][O:2][C:3]1[C:18]([NH2:19])=[CH:17][C:6]2[CH2:7][CH2:8][CH:9]([NH:12][CH2:13][CH2:14][O:15][CH3:16])[CH2:10][CH2:11][C:5]=2[CH:4]=1.Cl[C:21]1[N:26]=[C:25]([NH:27][C:28]2[C:38]3[CH2:37][N:36]([S:39]([CH3:42])(=[O:41])=[O:40])[CH2:35][C:34](=[O:43])[NH:33][C:32]=3[CH:31]=[CH:30][C:29]=2[O:44][CH3:45])[C:24]([Cl:46])=[CH:23][N:22]=1>>[Cl:46][C:24]1[C:25]([NH:27][C:28]2[C:38]3[CH2:37][N:36]([S:39]([CH3:42])(=[O:41])=[O:40])[CH2:35][C:34](=[O:43])[NH:33][C:32]=3[CH:31]=[CH:30][C:29]=2[O:44][CH3:45])=[N:26][C:21]([NH:19][C:18]2[C:3]([O:2][CH3:1])=[CH:4][C:5]3[CH2:11][CH2:10][CH:9]([NH:12][CH2:13][CH2:14][O:15][CH3:16])[CH2:8][CH2:7][C:6]=3[CH:17]=2)=[N:22][CH:23]=1

Participants

3

Reactant 2

HCID 57522623HCID 57522623, compoundHCID 86633921HCID 86633921, compound

Product 1

HCID 66830179HCID 66830179, compound

Procedure

The title compound was prepared from 3-Methoxy-N*7*-(2-methoxy-ethyl)-6,7,8,9-tetrahydro-5H-benzocycloheptene-2,7-diamine and 6-(2,5-Dichloro-pyrimidin-4-ylamino)-4-methanesulfonyl-7-methoxy-1,3,4,5-tetrahydro-benzo[e][1,4]diazepin-2-one in an analogous manner to example 730 (0.017 g, 11%). Mp 110-114° C.; LCMS (m/e) 660 (M); 1H-NMR (DMSO, 400 MHz) δ 10.28 (br, 1H), 8.58 (s, 1H), 8.05 (s, 1H), 7.42 (s, 1H), 7.35 (s, 1H), 7.20-7.14 (q, 2H, J=5.81 Hz), 6.70 (s, 1H), 6.56 (s, 1H), 6.39 (s, 1H), 4.40-4.24 (br, 3H), 3.74 (s, 3H), 3.70 (s, 6H), 3.98-3.45 (q, 3H, J=5.05 Hz), 3.25 (s, 2H), 2.80 (s, 2H), 2.79-2.70 (br, 2H), 2.70-2.57 (br, 2H), 2.35-2.10 (br, 2H), 1.98-1.81 (br, 3H), 1.25-0.90 (br, 4H).

Sources & evidence

ORD record
ord-524d600dc5074a8fa4d235e255aabaf2
Source dataset
uspto-grants-2012_04
Patent number
US08148391B2

Reaction notes

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