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Hydrochloric Acid → Ethyl (4-{[(2-chloro-5-{[(3-chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}-2-fluorophenyl)acetate

HRID 178830
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인쇄 미리보기

반응식

HRID 178830 반응식
[CH3:21][N:22]([CH3:23])[CH2:24][CH2:25][N:26]=[C:27]=[N:28][CH2:29][CH3:30].[CH3:48][OH:49].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[OH:6])[cH:7][c:8]([O:11][CH2:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[cH:9][cH:10]1.[Cl:45][CH2:46][Cl:47].[ClH:20].[NH2:31][c:32]1[cH:33][c:34]([F:44])[c:35]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:36][cH:37]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:6])[NH:31][c:32]2[cH:33][c:34]([F:44])[c:35]([CH2:38][C:39](=[O:40])[O:41][CH2:42][CH3:43])[cH:36][cH:37]2)[cH:7][c:8]([O:11][CH2:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]2)[cH:9][cH:10]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric AcidHCID 887MethanolHCID 6344DichloromethaneHCID 1223461-Ethyl-3-(3-dimethylaminoethyl)carbodiimideHCID 15840528Ethyl 2-(4-amino-2-fluorophenyl)acetateHCID 597600492-Chloro-5-{[(3-chlorophenyl)methyl]oxy}benzoic acid

생성물 1

HCID 59163386
Ethyl (4-{[(2-chloro-5-{[(3-chlorophenyl)methyl]oxy}phenyl)carbonyl]amino}-2-fluorophenyl)acetate

출처 및 근거

ORD 기록
ord-17006372d1f747bfa560d32d0fd4df6e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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