Phenyl chloroformate → 1,4-Dioxa-8-aza-spiro[4.5]decane-8-carboxylic acid (7-[1,4]dioxepan-6-yl-4-methoxy-benzothiazol-2-yl)-amide
반응식
[Cl:20][C:21](=[O:22])[O:23][c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1.[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH2:17])[s:15][c:16]23)[CH2:7]1.[O:30]1[CH2:31][CH2:32][O:33][C:34]12[CH2:35][CH2:36][NH:37][CH2:38][CH2:39]2>>[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH:6]([c:8]2[cH:9][cH:10][c:11]([O:18][CH3:19])[c:12]3[n:13][c:14]([NH:17][C:21](=[O:22])[N:37]4[CH2:36][CH2:35][C:34]5([O:30][CH2:31][CH2:32][O:33]5)[CH2:39][CH2:38]4)[s:15][c:16]23)[CH2:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-8b1476385eab41a58d1526c040c439ad
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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