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Carbamate → 2-(3,5-Bis-trifluoromethyl-benzoylamino)-4-nitro-benzoic acid methyl ester

HRID 1145587
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반응식

HRID 1145587 반응식
[CH2:37]([Cl:38])[Cl:39].[CH3:1][O:2][C:3]([c:4]1[c:5]([NH2:13])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)=[O:14].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[Cl-:32].[F:15][C:16]([c:17]1[cH:18][c:19]([C:20](=[O:21])[Cl:22])[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:30])[F:31].[NH2:33][C:34](=[O:35])[O-:36]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([NH:13][C:20]([c:19]2[cH:18][c:17]([C:16]([F:15])([F:30])[F:31])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23]2)=[O:21])[cH:6][c:7]([N+:10](=[O:11])[O-:12])[cH:8][cH:9]1)=[O:14]
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참가 물질

7

반응물 6

HCID 276CarbamateHCID 312ChlorideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 1018563,5-Bis(trifluoromethyl)benzoyl chlorideHCID 596476Methyl 4-nitroanthranilate

생성물 1

HCID 86597398
2-(3,5-Bis-trifluoromethyl-benzoylamino)-4-nitro-benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-74e96c223c7d47d789e626df8f52063f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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