Hydrochloric Acid → Hydrochloric Acid

HRID 202359Notes

Reaction equation

HRID 202359 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH:10]([c:12]2[cH:13][c:14]3[c:15]([cH:37][cH:38]2)-[c:16]2[n:17][n:18](-[c:24]4[n:25](-[c:29]5[c:30]([F:36])[cH:31][c:32]([F:35])[cH:33][cH:34]5)[n:26][cH:27][n:28]4)[cH:19][c:20]2[CH2:21][CH2:22][O:23]3)[CH2:11]1)([CH3:5])([CH3:6])[CH3:7].[ClH:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1>>[ClH:39].[NH:8]1[CH2:9][CH:10]([c:12]2[cH:13][c:14]3[c:15]([cH:37][cH:38]2)-[c:16]2[n:17][n:18](-[c:24]4[n:25](-[c:29]5[c:30]([F:36])[cH:31][c:32]([F:35])[cH:33][cH:34]5)[n:26][cH:27][n:28]4)[cH:19][c:20]2[CH2:21][CH2:22][O:23]3)[CH2:11]1

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 582045883-{2-[2-(2,4-Difluoro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulen-8-yl}-azetidine-1-carboxylic acid tert-butyl ester

Product 2

HCID 313Hydrochloric AcidHCID 582045518-(Azetidin-3-yl)-2-[2-(2,4-difluorophenyl)-1,2,4-triazol-3-yl]-4,5-dihydro-[1]benzoxepino[5,4-c]pyrazole

Sources & evidence

ORD record
ord-b07a395e60cb467486392faaaa1c72ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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