Methanol → (5-Cyclohex-1-en-1-yl-4-hydroxy-7-isopropyl-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)[4-(tri-fluoromethyl)phenyl]methanone

HRID 98947

反応式

HRID 98947 の反応式
[BH3:12].[C:24]1([c:30]2[c:31]3[c:36]([cH:37][c:38]([CH:52]([CH3:53])[CH3:54])[c:39]2[C:40]([c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)=[O:51])[O:35][C:34]([CH3:55])([CH3:56])[CH2:33][C:32]3=[O:57])=[CH:25][CH2:26][CH2:27][CH2:28][CH2:29]1.[CH2:1]([N:2]([CH2:3][CH3:4])[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[CH3:11].[CH3:58][OH:59].[NH2:13][CH:14]1[c:15]2[c:16]([cH:17][cH:18][cH:19][cH:20]2)[CH2:21][CH:22]1[OH:23].[O:60]1[CH2:61][CH2:62][CH2:63][CH2:64]1>>[C:24]1([c:30]2[c:31]3[c:36]([cH:37][c:38]([CH:52]([CH3:53])[CH3:54])[c:39]2[C:40]([c:41]2[cH:42][cH:43][c:44]([C:47]([F:48])([F:49])[F:50])[cH:45][cH:46]2)=[O:51])[O:35][C:34]([CH3:55])([CH3:56])[CH2:33][CH:32]3[OH:57])=[CH:25][CH2:26][CH2:27][CH2:28][CH2:29]1

参加物

7

反応物 6

HCID 887MethanolHCID 6331BoraneHCID 7061N,N-DiethylanilineHCID 8028TetrahydrofuranHCID 1390341-Amino-2-indanolHCID 690712705-Cyclohex-1-en-1-yl-7-isopropyl-2,2-dimethyl-6-[4-(trifluoromethyl)benzoyl]-2,3-dihydro-4H-chromen-4-one

生成物 1

HCID 69068674(5-Cyclohex-1-en-1-yl-4-hydroxy-7-isopropyl-2,2-dimethyl-3,4-dihydro-2H-chromen-6-yl)[4-(tri-fluoromethyl)phenyl]methanone

出典と根拠

ORDレコード
ord-7fb509e4872d46be991a96d39c44052d
出典データセット
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

関連ノート

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