Ethyl Acetate → 6-(1-methylindol-3-yl)-3-(3-pyrrolidin-1-ylpropylamino)-4H-1,2,4-triazin-5-one

반응식

[CH3:1][n:2]1[cH:3][c:4](-[c:11]2[c:12](=[O:19])[nH:13][c:14]([S:17][CH3:18])[n:15][n:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12.[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[N:20]1([CH2:25][CH2:26][CH2:27][NH2:28])[CH2:21][CH2:22][CH2:23][CH2:24]1>>[CH3:1][n:2]1[cH:3][c:4](-[c:11]2[c:12](=[O:19])[nH:13][c:14]([NH:28][CH2:27][CH2:26][CH2:25][N:20]3[CH2:21][CH2:22][CH2:23][CH2:24]3)[n:15][n:16]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]12

참가 물질

반응물 3

HCID 8857Ethyl Acetate

HCID 316701-Pyrrolidinepropanamine

HCID 1363126596-(1-methylindol-3-yl)-3-methylsulfanyl-4H-1,2,4-triazin-5-one

생성물 1

HCID 1360722246-(1-methylindol-3-yl)-3-(3-pyrrolidin-1-ylpropylamino)-4H-1,2,4-triazin-5-one

출처 및 근거

ORD 기록: ord-c1e6e636c6044c9ba27df70e4451f0b5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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