Tetrahydrofuran → HCID 178477317, 화합물

HRID 1137949

반응식

HRID 1137949 반응식
[Cl:40][C:41](=[O:42])[O:43][CH2:44][CH2:45][Cl:46].[F:2][c:3]1[c:4]([C:10]([CH:11]([CH3:12])[S:13][CH:14]2[CH2:15][O:16][CH:17]([CH:20]=[CH:21][CH:22]=[CH:23][c:24]3[c:25]([F:32])[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]3)[O:18][CH2:19]2)([CH2:33][n:34]2[n:35][cH:36][n:37][cH:38]2)[OH:39])[cH:5][cH:6][c:7]([F:9])[cH:8]1.[KH:1].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1>>[F:2][c:3]1[c:4]([C:10]([CH:11]([CH3:12])[S:13][CH:14]2[CH2:15][O:16][CH:17]([CH:20]=[CH:21][CH:22]=[CH:23][c:24]3[c:25]([F:32])[cH:26][c:27]([C:28]#[N:29])[cH:30][cH:31]3)[O:18][CH2:19]2)([CH2:33][n:34]2[n:35][cH:36][n:37][cH:38]2)[O:39][C:41](=[O:42])[O:43][CH2:44][CH2:45][Cl:46])[cH:5][cH:6][c:7]([F:9])[cH:8]1

참가 물질

5

반응물 4

HCID 8028TetrahydrofuranHCID 123052-Chloroethyl chloroformateHCID 738870104-[4-[5-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrileHCID 178506623HCID 178506623, 화합물

생성물 1

HCID 178477317HCID 178477317, 화합물

출처 및 근거

ORD 기록
ord-4dde1f8250e64496a2e63a34fa54618c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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