HCID 10401480, 화합물 → HCID 19776778, 화합물

반응식

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

참가 물질

반응물 2

HCID 10401480HCID 10401480, 화합물

HCID 114244631-(3-Chloropropoxy)-2-nitrobenzene

생성물 1

HCID 19776778HCID 19776778, 화합물

출처 및 근거

ORD 기록: ord-cd723f39f3f64cfa91e11662d4dcf83c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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