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Hydrochloric Acid → {6-[5-(4-Trifluoromethoxy-phenyl)-pent-4-ynoylamino]-indol-1-yl}-acetic acid ethyl ester

HRID 1136946
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HRID 1136946 반응식
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([NH2:15])[cH:13][c:14]12)=[O:16].[CH3:36][N:37]([CH3:38])[CH2:39][CH2:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH3:46].[CH3:47][N:48]([CH3:49])[c:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1.[ClH:35].[F:17][C:18]([O:19][c:20]1[cH:21][cH:22][c:23]([C:26]#[C:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:24][cH:25]1)([F:33])[F:34]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][n:6]1[cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:30]([CH2:29][CH2:28][C:27]#[C:26][c:23]3[cH:22][cH:21][c:20]([O:19][C:18]([F:17])([F:33])[F:34])[cH:25][cH:24]3)=[O:31])[cH:13][c:14]12)=[O:16]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 142844-(Dimethylamino)pyridineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 16731704Ethyl 2-(6-amino-1H-indol-1-yl)acetateHCID 688226854-Pentynoic acid, 5-[4-(trifluoromethoxy)phenyl]-

생성물 1

HCID 68821712
{6-[5-(4-Trifluoromethoxy-phenyl)-pent-4-ynoylamino]-indol-1-yl}-acetic acid ethyl ester

출처 및 근거

ORD 기록
ord-a34c84fc38ab4f6ba58802061097745d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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