p-Toluenesulfonic acid → HCID 21424941, 화합물

반응식

[CH3:12][N:13]([CH2:14][C:15]#[C:16][C:17]1([OH:33])[CH2:18][c:19]2[c:20]([cH:29][cH:30][cH:31][cH:32]2)[S:21][c:22]2[c:23]1[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH3:34].[CH3:35][c:36]1[c:37]([CH3:38])[cH:39][cH:40][cH:41][cH:42]1.[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([OH:7])(=[O:8])=[O:9])[cH:10][cH:11]1>>[CH3:12][N:13]([CH2:14][C:15]#[C:16][C:17]1=[CH:18][c:19]2[c:20]([cH:29][cH:30][cH:31][cH:32]2)[S:21][c:22]2[c:23]1[cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[CH3:34]

참가 물질

반응물 3

HCID 6101p-Toluenesulfonic acid

HCID 7237O-Xylene

HCID 21424969HCID 21424969, 화합물

생성물 1

HCID 21424941HCID 21424941, 화합물

출처 및 근거

ORD 기록: ord-77e9a50c85b64661a526faefa16f7ccd
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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