1,3-Propanediol → 4-t-butyl-N-[6-(3-hydroxypropyloxy)-2-(4-isopropylpiperazinyl)-5-(2-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([CH:37]([CH3:38])[CH3:39])[CH2:35][CH2:36]3)[n:18][c:19]([Cl:30])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1.[CH2:40]([CH2:41][CH2:42][OH:43])[OH:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][c:17]([N:31]3[CH2:32][CH2:33][N:34]([CH:37]([CH3:38])[CH3:39])[CH2:35][CH2:36]3)[n:18][c:19]([O:43][CH2:42][CH2:41][CH2:40][OH:44])[c:20]2[O:21][c:22]2[c:23]([O:28][CH3:29])[cH:24][cH:25][cH:26][cH:27]2)[cH:9][cH:10]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-d6e24e5e62b644eab5d4e0e3ba3e7b21
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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