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Acetic Acid → 1-(9-(3-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2,2,2-trifluoroethanone

HRID 678502
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HRID 678502 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][c:9]1[c:10]([F:17])[c:11]([CH:12]=[O:13])[cH:14][cH:15][cH:16]1)([CH3:18])[CH3:19].[C:48]([O:49][BH-:50]([O:51][C:52](=[O:53])[CH3:54])[O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[CH3:44][C:45](=[O:46])[OH:47].[CH3:62][N:63]1[CH2:64][CH2:65][CH2:66][C:67]1=[O:68].[F:20][C:21]([F:22])([F:23])[C:24]([OH:25])=[O:26].[F:27][C:28]([C:29](=[O:30])[N:31]1[CH2:32][CH2:33][O:34][C:35]2([CH2:36]1)[CH2:37][CH2:38][NH:39][CH2:40][CH2:41]2)([F:42])[F:43].[Na+:61].[OH2:69]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[Si:5]([O:6][CH2:7][CH2:8][c:9]1[c:10]([F:17])[c:11]([CH2:12][N:39]2[CH2:38][CH2:37][C:35]3([O:34][CH2:33][CH2:32][N:31]([C:29]([C:28]([F:27])([F:42])[F:43])=[O:30])[CH2:36]3)[CH2:41][CH2:40]2)[cH:14][cH:15][cH:16]1)([CH3:18])[CH3:19]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 176Acetic AcidHCID 923Sodium IonHCID 962WaterHCID 6422Trifluoroacetic acidHCID 13387N-methyl-2-pyrrolidoneHCID 2724942TriacetoxyborohydrideHCID 579890262,2,2-Trifluoro-1-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)ethanone
HCID 57989164
3-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzaldehyde

생성물 1

HCID 579890151-(9-(3-(2-(tert-Butyldimethylsilyloxy)ethyl)-2-fluorobenzyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-2,2,2-trifluoroethanone

출처 및 근거

ORD 기록
ord-370973ea9ad34f4c9cd5bb3965baa1ef
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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