Hydrochloric Acid → 2-{4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulen-8-yl]-pyrazol-1-yl}-ethanol

HRID 1545579Notes

Reaction equation

HRID 1545579 reaction equation
[CH3:38][OH:39].[CH3:40][CH2:41][O:42][CH2:43][CH3:44].[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[n:9]1[cH:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][CH2:29][O:30][CH:31]4[CH2:32][CH2:33][CH2:34][CH2:35][O:36]4)[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2.[ClH:37]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[n:5][cH:6][n:7][c:8]1-[n:9]1[cH:10][c:11]2[c:17]([n:18]1)-[c:16]1[c:15]([cH:22][c:21](-[c:23]3[cH:24][n:25][n:26]([CH2:28][CH2:29][OH:30])[cH:27]3)[cH:20][cH:19]1)[O:14][CH2:13][CH2:12]2

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 3283Diethyl EtherHCID 670507272-(2-isopropyl-2H-[1,2,4]triazol-3-yl)-8-{1-[2-(tetrahydro-pyran-2-yloxy)-ethyl]-1H-pyrazol-4-yl}-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene

Product 1

HCID 582047772-{4-[2-(2-Isopropyl-2H-[1,2,4]triazol-3-yl)-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulen-8-yl]-pyrazol-1-yl}-ethanol

Sources & evidence

ORD record
ord-797b000218af4ad88162363cd0631ffb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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