Hydrochloric Acid → 1-(5-(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-2-yl)-2-methylpropan-2-ol

HRID 2339462Notes

Reaction equation

HRID 2339462 reaction equation
[CH3:40][OH:41].[CH3:42][CH2:43][OH:44].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[n:24][c:25]([CH2:34][C:35]([CH3:36])([OH:37])[CH3:38])[n:26]([CH:28]4[CH2:29][CH2:30][CH2:31][CH2:32][O:33]4)[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[ClH:39]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[c:9]1[cH:10][n:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[nH:24][c:25]([CH2:34][C:35]([CH3:36])([OH:37])[CH3:38])[n:26][cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 887MethanolHCID 582048951-[4-[2-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-6-oxa-1,3a-diaza-benzo[e]azulen-8-yl]-1-(tetrahydro-pyran-2-yl)-1H-imidazol-2-yl]-2-methyl-propan-2-ol

Product 1

HCID 582042851-(5-(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-2-yl)-2-methylpropan-2-ol

Sources & evidence

ORD record
ord-bd0e8e7554f1446285359c047d6ccae9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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