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Hydrochloric Acid → 5-{1-[4-(4-Trifluoromethoxy-benzyloxy)-phenyl]-ethylcarbamoyl}-thiophene-2-carboxylic acid methyl ester

HRID 2163045
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반응식

HRID 2163045 반응식
[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]=[C:21]=[N:22][CH2:23][CH3:24].[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:10](=[O:11])[OH:12])[cH:8][cH:9]1.[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[Cl:65][CH2:66][Cl:67].[ClH:13].[F:43][C:44]([O:45][c:46]1[cH:47][cH:48][c:49]([CH2:50][O:51][c:52]2[cH:53][cH:54][c:55]([CH:58]([CH3:59])[NH2:60])[cH:56][cH:57]2)[cH:61][cH:62]1)([F:63])[F:64].[OH2:25].[OH:26][n:27]1[c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[n:34][n:35]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[s:6][c:7]([C:10](=[O:12])[NH:60][CH:58]([c:55]2[cH:54][cH:53][c:52]([O:51][CH2:50][c:49]3[cH:48][cH:47][c:46]([O:45][C:44]([F:43])([F:63])[F:64])[cH:62][cH:61]3)[cH:57][cH:56]2)[CH3:59])[cH:8][cH:9]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 313Hydrochloric AcidHCID 962WaterHCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 8183525-(Methoxycarbonyl)thiophene-2-carboxylic acid
HCID 58629028
1-[4-(4-Trifluoromethoxy-benzyloxy)-phenyl]-ethylamine

생성물 1

HCID 691351185-{1-[4-(4-Trifluoromethoxy-benzyloxy)-phenyl]-ethylcarbamoyl}-thiophene-2-carboxylic acid methyl ester

출처 및 근거

ORD 기록
ord-f77074f277534a48a7b91902ed29b4e7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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