Dimethylformamide → 11-(Dipropylamino)-2-methyl-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one

반응식

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

참가 물질

반응물 3

HCID 6228Dimethylformamide

HCID 719784O,O-Dipyridin-2-yl carbonothioate

HCID 540179782-chloro-N-[3-(dipropylamino)-1,2,3,4-tetrahydroquinolin-8-yl]propanamide

생성물 1

HCID 1910850711-(Dipropylamino)-2-methyl-1,4-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-3-one

출처 및 근거

ORD 기록: ord-6b19bf836e7d414890adeaf8e5a6b047
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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