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Chloride → 1-(3,5-Dichloro-1-methylpyrazol-4-yl)-2-{2-(1-methylcyclohexan-1-yl)-thiazol-4-yl}-2-diethylphosphonoethanone

HRID 189655
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인쇄 미리보기

반응식

HRID 189655 반응식
[CH3:13][C:14]1([c:20]2[s:21][cH:22][c:23]([CH2:25][P:26]([O:27][CH2:28][CH3:29])([O:30][CH2:31][CH3:32])=[O:33])[n:24]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]1.[CH3:34][C:35]([CH3:36])([O-:37])[CH3:38].[Cl-:1].[Cl:2][c:3]1[n:4][n:5]([CH3:12])[c:6]([Cl:11])[c:7]1[C:8](=[O:9])[OH:10].[K+:39].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH2:40]>>[Cl:2][c:3]1[n:4][n:5]([CH3:12])[c:6]([Cl:11])[c:7]1[C:8](=[O:9])[CH:25]([c:23]1[cH:22][s:21][c:20]([C:14]2([CH3:13])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)[n:24]1)[P:26]([O:27][CH2:28][CH3:29])([O:30][CH2:31][CH3:32])=[O:33]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 312ChlorideHCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 45749132-Methylpropan-2-olateHCID 111271553,5-dichloro-1-methyl-1H-pyrazole-4-carboxylic acidHCID 54149683Diethyl {2-(1-methylcyclohexan-1-yl)-thiazol-4-yl}methylphosphonate

생성물 1

HCID 536619561-(3,5-Dichloro-1-methylpyrazol-4-yl)-2-{2-(1-methylcyclohexan-1-yl)-thiazol-4-yl}-2-diethylphosphonoethanone

출처 및 근거

ORD 기록
ord-b432c5b453db405ca644d27e53b7be82
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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