Toluene → HCID 178480523, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 930741-Methyl-3-pyrrolidinol

HCID 267210Methyl 9-hydroxy-9H-fluorene-9-carboxylate

생성물 1

HCID 178480523HCID 178480523, 화합물

출처 및 근거

ORD 기록: ord-baf701bb5cf44422bd183c683f470928
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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