Acetic Acid → T 691

HRID 282720노트

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HRID 282720 반응식
[C:27]([BH3-:28])#[N:29].[CH2:14]([C:15]#[CH:16])[S:17][C:18]([CH:19]=[O:20])([CH3:21])[CH3:22].[CH3:23][C:24](=[O:25])[OH:26].[CH3:31][OH:32].[NH2:1][c:2]1[c:3]([NH:8][CH2:9][C:10]([CH3:11])([CH3:12])[SH:13])[cH:4][cH:5][cH:6][cH:7]1.[Na+:30]>>[NH:1]([c:2]1[c:3]([NH:8][CH2:9][C:10]([CH3:11])([CH3:12])[SH:13])[cH:4][cH:5][cH:6][cH:7]1)[CH2:19][C:18]([S:17][CH2:14][C:15]#[CH:16])([CH3:21])[CH3:22]

참가 물질

7

출처 및 근거

ORD 기록
ord-f18109f2e4a44db18c7bc767aa82e8d5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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