Trifluoroacetic acid → Trifluoroacetic acid

HRID 181612노트

반응식

HRID 181612 반응식
[CH2:8]([CH3:9])[N:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:18]2[cH:19][c:20]3[c:21]([CH:30]4[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH2:39][CH3:40])[CH2:34][CH2:35]4)[cH:22][nH:23][c:24]3[c:25]([C:27](=[O:28])[NH2:29])[cH:26]2)[cH:16][s:17]1.[CH3:41][NH:42][CH2:43][CH3:44].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]>>[CH2:8]([CH2:9][CH2:43][CH3:44])[N:10]([CH3:11])[CH2:12][c:13]1[cH:14][c:15](-[c:18]2[cH:19][c:20]3[c:21]([CH:30]4[CH2:31][CH2:32][N:33]([S:36](=[O:37])(=[O:38])[CH2:39][CH3:40])[CH2:34][CH2:35]4)[cH:22][nH:23][c:24]3[c:25]([C:27](=[O:28])[NH2:29])[cH:26]2)[cH:16][s:17]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]

참가 물질

5

반응물 3

HCID 6422Trifluoroacetic acidHCID 12219N-MethylethylamineHCID 160374805-(5-{[ethyl(methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

생성물 2

HCID 6422Trifluoroacetic acidHCID 160374825-[5-[[butyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

출처 및 근거

ORD 기록
ord-7f1a7ae3e8224367bf633617902059fa
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

반응 노트

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