Dichloromethane → 2-[2-(3-Trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid

HRID 152237

반응식

HRID 152237 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[c:8]1[c:9]2[c:10]([s:11][c:12]1[NH:13][C:14]([CH2:15][n:16]1[n:17][c:18]([C:25]([F:26])([F:27])[F:28])[c:19]3[c:24]1[CH2:23][CH2:22][CH2:21][CH2:20]3)=[O:29])[CH2:30][CH2:31][CH2:32][CH2:33]2.[Cl:34][CH2:35][Cl:36].[F:37][C:38]([F:39])([F:40])[C:41]([OH:42])=[O:43]>>[O:5]=[C:6]([OH:7])[c:8]1[c:9]2[c:10]([s:11][c:12]1[NH:13][C:14]([CH2:15][n:16]1[n:17][c:18]([C:25]([F:26])([F:27])[F:28])[c:19]3[c:24]1[CH2:23][CH2:22][CH2:21][CH2:20]3)=[O:29])[CH2:30][CH2:31][CH2:32][CH2:33]2

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 595204592-[2-(3-Trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid tert-butyl ester

생성물 1

HCID 595204832-[2-(3-Trifluoromethyl-4,5,6,7-tetrahydroindazol-1-yl)-acetylamino]-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid

출처 및 근거

ORD 기록
ord-42ab8bd8f31d439189804e83d0aa68eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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