Toluene → HCID 21559963, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 698734-Phenylpiperidine

HCID 21559973HCID 21559973, 화합물

생성물 1

HCID 21559963HCID 21559963, 화합물

출처 및 근거

ORD 기록: ord-0fba4f71da394c19b823b8e4b92f8d92
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

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