Tetrahydrofuran → 3-Piperidin-1-yl-propane-1-sulfonic acid {3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-amide

HRID 165220

반응식

HRID 165220 반응식
[CH2:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH2:33][Cl:34])[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([C:7](=[C:8]([CH2:9][CH3:10])[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[c:17]2[cH:18][cH:19][c:20]([CH:23]=[CH:24][C:25](=[O:26])[NH:27][S:28](=[O:29])(=[O:30])[CH2:31][CH2:32][CH2:33][N:38]3[CH2:37][CH2:36][CH2:35][CH2:40][CH2:39]3)[cH:21][cH:22]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 8082PiperidineHCID 866014693-Chloro-propane-1-sulfonic acid {3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-amide

생성물 1

HCID 726251473-Piperidin-1-yl-propane-1-sulfonic acid {3-[4-(1,2-diphenyl-but-1-enyl)-phenyl]-acryloyl}-amide

출처 및 근거

ORD 기록
ord-e0d6ae0f6774416dbe1dffe744a2bfd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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