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

HRID 1552812Notes

Reaction equation

HRID 1552812 reaction equation
[CH3:1][CH:2]([CH3:3])[c:4]1[o:5][c:6]2[cH:7][c:8]3[c:9]([cH:15][c:16]2[n:17]1)[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]3.[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][CH:2]([CH3:3])[c:4]1[o:5][c:6]2[cH:7][c:8]3[c:9]([cH:15][c:16]2[n:17]1)[CH2:10][CH2:11][N:12]([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])[CH2:13][CH2:14]3.[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 591504992-(1-Methylethyl)-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine

Product 2

HCID 313Hydrochloric AcidHCID 115908287-[3-[[4-Methyl-5-(4-methyl-1,3-oxazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-2-propan-2-yl-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine

Sources & evidence

ORD record
ord-3f4082cecb9d4893ad499d7a7c677e48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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