Water → 1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone

HRID 2146745

반응식

HRID 2146745 반응식
[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH3:39].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[n:23][c:24]([CH:27]3[CH2:28][CH2:29][NH:30][CH2:31][CH2:32]3)[n:25][s:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1.[OH2:45]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([NH:21][c:22]2[n:23][c:24]([CH:27]3[CH2:28][CH2:29][N:30]([C:34]([CH3:33])=[O:35])[CH2:31][CH2:32]3)[n:25][s:26]2)[n:10][cH:11][c:12]([S:14][c:15]2[n:16][cH:17][cH:18][cH:19][cH:20]2)[cH:13]1

참가 물질

5

출처 및 근거

ORD 기록
ord-6394f6057b7f448b873a5193ff9bd885
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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