{4-[(Methanesulfonyl)amino]phenyl}acetic acid → 9-(1H-Imidazol-1-yl)-4-[2-[4-[(methylsulfonyl)amino]phenyl]acetyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

HRID 1123303Notes

Reaction equation

HRID 1123303 reaction equation
[CH3:19][Al:20]([CH3:21])[CH3:22].[CH3:23][S:24](=[O:25])(=[O:26])[NH:27][c:28]1[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[OH:37])[cH:32][cH:33]1.[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:17][cH:18]2)[O:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1>>[n:1]1(-[c:6]2[cH:7][c:8]3[c:9]([cH:17][cH:18]2)[O:10][CH2:11][CH2:12][N:13]([C:35]([CH2:34][c:31]2[cH:30][cH:29][c:28]([NH:27][S:24]([CH3:23])(=[O:25])=[O:26])[cH:33][cH:32]2)=[O:36])[CH2:14][CH2:15][O:16]3)[cH:2][n:3][cH:4][cH:5]1

Participants

4

Reactant 3

HCID 2773887{4-[(Methanesulfonyl)amino]phenyl}acetic acidHCID 148563649-(1H-imidazol-1-yl)-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonineHCID 16682925Trimethylaluminum

Product 1

HCID 148563659-(1H-Imidazol-1-yl)-4-[2-[4-[(methylsulfonyl)amino]phenyl]acetyl]-3,4,5,6-tetrahydro-2H-1,7,4-benzodioxazonine

Sources & evidence

ORD record
ord-5d804b8e8fa646f393285218cbd92ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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