Benzene → HCID 70595401, 화합물

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

참가 물질

반응물 3

HCID 241Benzene

HCID 7371Benzenesulfonic Acid

HCID 70595222HCID 70595222, 화합물

생성물 1

HCID 70595401HCID 70595401, 화합물

출처 및 근거

ORD 기록: ord-edec1b61bd244742995ea6a02d4898b0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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