Acetic Acid → 1-(5-(5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

HRID 1226920Notes

Reaction equation

HRID 1226920 reaction equation
[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:25][C:26](=[O:27])[OH:28].[CH3:30][NH:31][CH3:32].[Cl:52][CH2:53][Cl:54].[ClH:29].[Na+:46].[n:1]1[c:2](-[c:15]2[n:16][c:17]([CH:23]=[O:24])[n:18][n:19]2[CH:20]([CH3:21])[CH3:22])[cH:3][n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[O:7][CH2:6][CH2:5]2>>[n:1]1[c:2](-[c:15]2[n:16][c:17]([CH2:23][N:31]([CH3:30])[CH3:32])[n:18][n:19]2[CH:20]([CH3:21])[CH3:22])[cH:3][n:4]2[c:10]1-[c:9]1[c:8]([cH:14][cH:13][cH:12][cH:11]1)[O:7][CH2:6][CH2:5]2

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 674DimethylamineHCID 923Sodium ionHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 2724942TriacetoxyborohydrideHCID 582047025-(4,5-Dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-2-yl)-1-isopropyl-1H-[1,2,4]triazole-3-carbaldehyde

Product 1

HCID 582046501-(5-(5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-2-yl)-1-isopropyl-1H-1,2,4-triazol-3-yl)-N,N-dimethylmethanamine

Sources & evidence

ORD record
ord-c98c20dc7d5c44c68eb55c7c3d4a4322
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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