2-ethyl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine → Hydrochloric Acid

HRID 1206003Notes

Reaction equation

HRID 1206003 reaction equation
[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[cH:6][c:7]3[c:8]([cH:14][c:15]2[n:16]1)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]3.[Cl:17][CH2:18][CH2:19][CH2:20][S:21][c:22]1[n:23][n:24][c:25](-[c:28]2[cH:29][c:30]([F:35])[c:31]([F:34])[cH:32][cH:33]2)[n:26]1[CH3:27]>>[CH2:1]([CH3:2])[c:3]1[o:4][c:5]2[cH:6][c:7]3[c:8]([cH:14][c:15]2[n:16]1)[CH2:9][CH2:10][N:11]([CH2:18][CH2:19][CH2:20][S:21][c:22]1[n:23][n:24][c:25](-[c:28]2[cH:29][c:30]([F:35])[c:31]([F:34])[cH:32][cH:33]2)[n:26]1[CH3:27])[CH2:12][CH2:13]3.[ClH:17]

Participants

4

Reactant 2

HCID 591504912-ethyl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepineHCID 594655693-[(3-Chloropropyl)thio]-5-(3,4-difluorophenyl)-4-methyl-4H-1,2,4-triazole

Product 2

HCID 313Hydrochloric AcidHCID 115621137-[3-[[5-(3,4-Difluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-ethyl-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine

Sources & evidence

ORD record
ord-ee9f4f40f9c94e41a0a992b6189ea846
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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