Sodium ion → HCID 57488832, compound

HRID 2320051Notes

Reaction equation

HRID 2320051 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[N:16]([C:17]([CH2:18][N:19]2[C:20](=[O:31])[CH2:21][O:22][c:23]3[c:24]2[cH:25][c:26]([Cl:30])[c:27]([Cl:29])[cH:28]3)=[O:32])[CH3:33])[cH:6][cH:7]1.[C:51](=[O:52])([O-:53])[O-:54].[CH3:34][C:35]([CH3:36])([CH3:37])[O:38][C:39](=[O:40])[NH:41][c:42]1[cH:43][cH:44][c:45]([B:48]([OH:49])[OH:50])[cH:46][cH:47]1.[Na+:55].[Na+:56].[O:57]=[CH:58][N:59]([CH3:60])[CH3:61]>>[c:2]1(-[c:45]2[cH:44][cH:43][c:42]([NH:41][C:39]([O:38][C:35]([CH3:34])([CH3:36])[CH3:37])=[O:40])[cH:47][cH:46]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[N:16]([C:17]([CH2:18][N:19]2[C:20](=[O:31])[CH2:21][O:22][c:23]3[c:24]2[cH:25][c:26]([Cl:30])[c:27]([Cl:29])[cH:28]3)=[O:32])[CH3:33])[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 3613184(4-Boc-Aminophenyl)Boronic AcidHCID 57457161N-[1-(4-bromophenyl)-2-(4-morpholinyl)ethyl]-2-(6,7-dichloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-methylacetamide

Product 1

HCID 57488832HCID 57488832, compound

Sources & evidence

ORD record
ord-826b248ac76d487795f81be2311f7ad2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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