3-{5-[(3-Chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}pyridine → Hydrochloric Acid

HRID 164675노트

반응식

HRID 164675 반응식
[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]([CH3:33])[c:24](-[c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[n:25][n:26]1>>[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]([CH3:33])[c:24](-[c:27]2[cH:28][n:29][cH:30][cH:31][cH:32]2)[n:25][n:26]1)[CH2:12][CH2:13]3.[ClH:17]

참가 물질

4

반응물 2

HCID 534173103-{5-[(3-Chloropropyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}pyridineHCID 591504912-ethyl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[4,5-h][3]benzazepine

생성물 2

HCID 313Hydrochloric AcidHCID 117120442-Ethyl-7-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-5,6,8,9-tetrahydro-[1,3]oxazolo[4,5-h][3]benzazepine

출처 및 근거

ORD 기록
ord-b0baf01f0a3a4882bdd575db5cf4174a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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