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Hydrochloric Acid → 5-carbamoyl-4-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrole-3-carboxylic acid

HRID 1553793
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HRID 1553793 반응식
[C:2]([NH2:3])(=[O:4])[c:5]1[c:6](-[c:13]2[cH:14][cH:15][c:16]([NH2:19])[cH:17][cH:18]2)[c:7]([C:10](=[O:11])[OH:12])[cH:8][nH:9]1.[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:46][CH2:47][CH2:48][CH2:49][CH3:50].[ClH:1].[F:20][c:21]1[c:22]([N:31]=[C:32]=[O:33])[cH:23][c:24]([C:27]([F:28])([F:29])[F:30])[cH:25][cH:26]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[C:2]([NH2:3])(=[O:4])[c:5]1[c:6](-[c:13]2[cH:14][cH:15][c:16]([NH:19][C:32]([NH:31][c:22]3[c:21]([F:20])[cH:26][cH:25][c:24]([C:27]([F:28])([F:29])[F:30])[cH:23]3)=[O:33])[cH:17][cH:18]2)[c:7]([C:10](=[O:11])[OH:12])[cH:8][nH:9]1
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참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 8003PentaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 27333802-Fluoro-5-(trifluoromethyl)phenyl isocyanateHCID 67212989HCID 67212989, 화합물

생성물 1

HCID 57756868
5-carbamoyl-4-{4-[3-(2-fluoro-5-trifluoromethylphenyl)ureido]-phenyl}-1H-pyrrole-3-carboxylic acid

출처 및 근거

ORD 기록
ord-7bcd23ea1f6e434d805b8fc9a674f0ed
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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