Sodium ion → HCID 58204523, compound

HRID 1566373Notes

Reaction equation

HRID 1566373 reaction equation
[CH2:35]([Cl:36])[Cl:37].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH:9]([CH3:10])([CH3:11])[n:12]1[n:13][cH:14][n:15][c:16]1-[c:17]1[n:18][c:19]2[n:20]([cH:34]1)[CH2:21][CH2:22][O:23][c:24]1[c:25]-2[cH:26][cH:27][c:28]([C:30]([O:31][CH3:32])=[O:33])[cH:29]1.[H-:8].[NH2:1][C:2]([CH2:3][OH:4])([CH3:5])[CH3:6].[Na+:7].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[S:38]([Cl:39])([Cl:40])=[O:41]>>[N:1]1=[C:30]([c:28]2[cH:27][cH:26][c:25]3[c:24]([cH:29]2)[O:23][CH2:22][CH2:21][n:20]2[c:19]-3[n:18][c:17](-[c:16]3[n:12]([CH:9]([CH3:10])[CH3:11])[n:13][cH:14][n:15]3)[cH:34]2)[O:4][CH2:3][C:2]1([CH3:5])[CH3:6]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8028Tetrahydrofuran2×HCID 118072-Amino-2-methyl-1-propanolHCID 24386Thionyl ChlorideHCID 166653HydrideHCID 58204510methyl 2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine-9-carboxylate

Product 1

HCID 58204523HCID 58204523, compound

Sources & evidence

ORD record
ord-6840bb7fa85447bfb933383316a223cb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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