3-[(3-Chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazole → Hydrochloric Acid

HRID 1541868Notes

Reaction equation

HRID 1541868 reaction equation
[CH3:1][N:2]1[C:3](=[O:17])[CH2:4][O:5][c:6]2[c:7]1[cH:8][c:9]1[c:10]([cH:16]2)[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]1.[Cl:18][CH2:19][CH2:20][CH2:21][S:22][c:23]1[n:24][n:25][c:26](-[c:29]2[c:30]([CH3:34])[n:31][cH:32][o:33]2)[n:27]1[CH3:28]>>[CH3:1][N:2]1[C:3](=[O:17])[CH2:4][O:5][c:6]2[c:7]1[cH:8][c:9]1[c:10]([cH:16]2)[CH2:11][CH2:12][N:13]([CH2:19][CH2:20][CH2:21][S:22][c:23]2[n:24][n:25][c:26](-[c:29]3[c:30]([CH3:34])[n:31][cH:32][o:33]3)[n:27]2[CH3:28])[CH2:14][CH2:15]1.[ClH:18]

Participants

4

Reactant 2

HCID 446279943-[(3-Chloropropyl)thio]-4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-4H-1,2,4-triazoleHCID 584946054-Methyl-4,6,7,8,9,10-hexahydro[1,4]oxazino[2,3-h][3]benzazepin-3(2H)-one

Product 2

HCID 313Hydrochloric AcidHCID 116699534-Methyl-8-[3-[[4-methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-6,7,9,10-tetrahydro-[1,4]oxazino[2,3-h][3]benzazepin-3-one

Sources & evidence

ORD record
ord-421f277ba8ad4f8aa06e264dc061d952
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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