3-(1,3-Benzodioxol-5-yl)prop-2-enoic acid → HCID 178449054, 화합물

HRID 148751

반응식

HRID 148751 반응식
[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][NH2:11])[C:12](=[O:13])[OH:14])[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[CH2:27]1[O:28][c:29]2[cH:30][c:31]([CH:32]=[CH:33][C:34](=[O:35])[OH:36])[cH:37][cH:38][c:39]2[O:40]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[N:5]([CH:6]([CH2:7][CH2:8][CH2:9][CH2:10][NH:11][C:34]([CH:33]=[CH:32][c:31]1[cH:30][c:29]2[c:39]([cH:38][cH:37]1)[O:40][CH2:27][O:28]2)=[O:35])[C:12](=[O:13])[OH:14])[S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1

참가 물질

3

반응물 2

HCID 169173-(1,3-Benzodioxol-5-yl)prop-2-enoic acidHCID 178449061HCID 178449061, 화합물

생성물 1

HCID 178449054HCID 178449054, 화합물

출처 및 근거

ORD 기록
ord-d8ee210f02464202a6a15c2d04b7655d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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