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Tetrahydrofuran → Naphthalen-1-ylthiocarbamic acid O-(4-hydroxymethyl-5-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-4-ylmethyl)ester

HRID 111997
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인쇄 미리보기

반응식

HRID 111997 반응식
[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH:1][CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[S:7][CH2:8][CH2:9]1.[S:24]=[C:25]=[N:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12>>[O:1]([CH2:2][C:3]1([CH2:15][OH:16])[C:4](=[O:14])[c:5]2[c:6]([cH:10][cH:11][cH:12][cH:13]2)[S:7][CH2:8][CH2:9]1)[C:25](=[S:24])[NH:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 110801-Naphthyl IsothiocyanateHCID 670733654,4-bis(hydroxymethyl)-3,4-dihydro-2H-benzo[b]thiepin-5-one

생성물 1

HCID 86633680Naphthalen-1-ylthiocarbamic acid O-(4-hydroxymethyl-5-oxo-2,3,4,5-tetrahydrobenzo[b]thiepin-4-ylmethyl)ester

출처 및 근거

ORD 기록
ord-6e627fe5f85d4e8bb6658ffd1a1e1e56
이 페이지에서참가 물질출처 및 근거반응 노트
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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