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

HRID 111997

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 물질

5

출처 및 근거

ORD 기록
ord-6e627fe5f85d4e8bb6658ffd1a1e1e56
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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