Tetrahydrofuran → 2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-5-[2-(methyl-octyl-carbamoyl)-vinyl]-benzoic acid methyl ester

HRID 136458

반응식

HRID 136458 반응식
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([N:16]([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:6]([CH3:15])[cH:7][c:8]([CH:10]=[CH:11][C:12](=[O:13])[OH:14])[cH:9]1)=[O:29].[CH3:30][NH:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([N:16]([CH3:17])[S:18](=[O:19])(=[O:20])[c:21]2[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]2)[c:6]([CH3:15])[cH:7][c:8]([CH:10]=[CH:11][C:12](=[O:13])[N:31]([CH3:30])[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])[cH:9]1)=[O:29]

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 75538OctylmethylamineHCID 700551955-(2-Carboxy-vinyl)-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-benzoic acid methyl ester

생성물 1

HCID 700537552-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-3-methyl-5-[2-(methyl-octyl-carbamoyl)-vinyl]-benzoic acid methyl ester

출처 및 근거

ORD 기록
ord-3fc73adc5b844834a0efbfc172be518d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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