Cyclopropanecarboxaldehyde → Methyl 5-[(4-[(4-butylphenyl)ethynyl]benzyl) (cyclopropylmethyl)amino]-2-fluorobenzoate

HRID 1153190

반응식

HRID 1153190 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[cH:30][cH:31]2)[cH:9][cH:10]1.[CH:32]1([CH:35]=[O:36])[CH2:33][CH2:34]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[CH2:35][CH:32]3[CH2:33][CH2:34]3)[cH:30][cH:31]2)[cH:9][cH:10]1

참가 물질

3

반응물 2

HCID 123114CyclopropanecarboxaldehydeHCID 11452740Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

생성물 1

HCID 57554559Methyl 5-[(4-[(4-butylphenyl)ethynyl]benzyl) (cyclopropylmethyl)amino]-2-fluorobenzoate

출처 및 근거

ORD 기록
ord-f495b5d87662406a86a00b86eef8035c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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