Hydrochloric Acid → 2-(3-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)azetidin-1-yl)-N,N-dimethylacetamide

HRID 2326153Notes

Reaction equation

HRID 2326153 reaction equation
[Cl:28][CH2:29][C:30](=[O:31])[N:32]([CH3:33])[CH3:34].[ClH:1].[NH:2]1[CH2:3][CH:4]([c:6]2[cH:7][c:8]3[c:9]([cH:26][cH:27]2)-[c:10]2[n:11][c:12](-[c:18]4[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]4)[cH:13][n:14]2[CH2:15][CH2:16][O:17]3)[CH2:5]1>>[N:2]1([CH2:29][C:30](=[O:31])[N:32]([CH3:33])[CH3:34])[CH2:3][CH:4]([c:6]2[cH:7][c:8]3[c:9]([cH:26][cH:27]2)-[c:10]2[n:11][c:12](-[c:18]4[n:19]([CH:23]([CH3:24])[CH3:25])[n:20][cH:21][n:22]4)[cH:13][n:14]2[CH2:15][CH2:16][O:17]3)[CH2:5]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 758862-chloro-N,N-dimethylacetamideHCID 582045919-(Azetidin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

Product 1

HCID 582048912-(3-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)azetidin-1-yl)-N,N-dimethylacetamide

Sources & evidence

ORD record
ord-f7ff0a8bac83461b8acc04d0a08eb432
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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