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

HRID 1125741Notes

Reaction equation

HRID 1125741 reaction equation
[CH3:44][CH2:45][OH:46].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:36]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[n:23][cH:24][n:25]([CH2:27][CH2:28][O:29][CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][O:35]3)[cH:26]2)[cH:21]1.[ClH:37].[O:38]1[CH2:39][CH2:40][O:41][CH2:42][CH2:43]1>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[n:10][c:11]2[n:12]([cH:36]1)[CH2:13][CH2:14][O:15][c:16]1[c:17]-2[cH:18][cH:19][c:20](-[c:22]2[n:23][cH:24][n:25]([CH2:27][CH2:28][OH:29])[cH:26]2)[cH:21]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 312751,4-DioxaneHCID 582043592-(1-isopropyl-1H-1,2,4-triazol-5-yl)-9-(1-(2-(tetrahydro-2H-pyran-2-yloxy)ethyl)-1H-imidazol-4-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepine

Product 1

HCID 582043022-(4-(2-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)-1H-imidazol-1-yl)ethanol

Sources & evidence

ORD record
ord-3619b4475797494881d7dc5ff9522d6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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