Methyl iodide → N4-(1-ethyl-propyl)-6,N3-dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridine-3,4-diamine

반응식

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

참가 물질

반응물 3

HCID 6328Methyl iodide

HCID 8028Tetrahydrofuran

HCID 219121512-(2,4,6-trimethylphenoxy)-N4-(1-ethylpropyl)-6-methyl-pyridine-3,4-diamine

생성물 1

HCID 21912312N4-(1-ethyl-propyl)-6,N3-dimethyl-2-(2,4,6-trimethyl-phenoxy)-pyridine-3,4-diamine

출처 및 근거

ORD 기록: ord-9fabb28a6b3f4bec8eb062765417c456
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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