Phosphorus sulfide (P2S5) → O-(2,2-dimethylpropionyloxymethyl) P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinothioate

반응식

[CH2:1]([CH3:2])[P:3]([O:4][CH2:5][O:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])(=[O:13])[c:14]1[c:15]([N+:32](=[O:33])[O-:34])[cH:16][cH:17][c:18]([O:20][c:21]2[c:22]([Cl:31])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[cH:19]1.[P:35]12(=[S:36])[S:37][P:38]3(=[S:48])[S:39][P:40](=[S:46])([S:41][P:42](=[S:45])([S:43]3)[S:44]1)[S:47]2>>[CH2:1]([CH3:2])[P:3]([O:4][CH2:5][O:6][C:7]([C:8]([CH3:9])([CH3:10])[CH3:11])=[O:12])([c:14]1[c:15]([N+:32](=[O:33])[O-:34])[cH:16][cH:17][c:18]([O:20][c:21]2[c:22]([Cl:31])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]2)[cH:19]1)=[S:36]

참가 물질

반응물 2

HCID 14817Phosphorus sulfide (P2S5)

HCID 155898042,2-dimethylpropionyloxymethyl P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinate

생성물 1

HCID 53712337O-(2,2-dimethylpropionyloxymethyl) P-ethyl-2-nitro-5-(2-chloro-4-trifluoromethylphenoxy)phenylphosphinothioate

출처 및 근거

ORD 기록: ord-dd6a4c55847c4c00aaa66ddb989db32d
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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