Ethanol → Benzenesulfonic Acid

HRID 148870노트

반응식

HRID 148870 반응식
[CH3:1][CH2:2][OH:3].[CH3:4][C:5]([CH3:6])([CH3:7])[C:8](=[O:9])[CH2:10][N:11]1[CH2:12][CH:13]2[O:14][CH:15]([CH2:16][NH:17][CH2:18]2)[CH2:19]1.[OH2:42].[c:20]1([S:26](=[O:27])(=[O:28])[O:29][CH2:30][CH2:31][CH2:32][NH:33][c:34]2[cH:35][cH:36][c:37]([C:38]#[N:39])[cH:40][cH:41]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1>>[c:20]1([S:26](=[O:27])(=[O:28])[OH:29])[cH:21][cH:22][cH:23][cH:24][cH:25]1

참가 물질

5

출처 및 근거

ORD 기록
ord-cb184b2e6b7b4685a48794fa048f01bf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

반응 노트

불러오는 중…