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Hydrochloric Acid → 5-(4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-2-nitrobenzyl phenylcarbamate

HRID 2132547
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HRID 2132547 반응식
[Cl:51][CH2:52][Cl:53].[ClH:50].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([O:8][CH2:9][O:10][CH3:11])[c:12]1[cH:13][c:14]([CH2:30][CH2:31][CH3:32])[c:15]([O:16][c:17]2[cH:18][cH:19][c:20]([N+:25](=[O:26])[O-:27])[c:21]([CH2:23][OH:24])[cH:22]2)[cH:28][cH:29]1)([F:33])[F:34].[OH2:54].[c:41]1([N:47]=[C:48]=[O:49])[cH:42][cH:43][cH:44][cH:45][cH:46]1.[cH:35]1[cH:36][cH:37][n:38][cH:39][cH:40]1>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([O:8][CH2:9][O:10][CH3:11])[c:12]1[cH:13][c:14]([CH2:30][CH2:31][CH3:32])[c:15]([O:16][c:17]2[cH:18][cH:19][c:20]([N+:25](=[O:26])[O-:27])[c:21]([CH2:23][O:24][C:48]([NH:47][c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)=[O:49])[cH:22]2)[cH:28][cH:29]1)([F:33])[F:34]
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반응물 6

HCID 313Hydrochloric AcidHCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 7672Phenyl isocyanateHCID 86639411(5-(4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-2-nitrophenyl) methanol

생성물 1

HCID 86639412
5-(4-(1,1,1,3,3,3-Hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-2-nitrobenzyl phenylcarbamate

출처 및 근거

ORD 기록
ord-901b99d5094d404a834715339a810fa5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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