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Water → 3-(3-Bromobenzyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid (2,5-difluorophenyl)amide

HRID 1231582
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HRID 1231582 반응식
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH2:17][c:18]3[cH:19][c:20]([Br:24])[cH:21][cH:22][cH:23]3)[C:14](=[O:16])[O:15]2)[CH2:25][CH2:26]1)([CH3:5])([CH3:6])[CH3:7].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[Cl:46][CH2:47][Cl:48].[F:34][c:35]1[c:36]([N:42]=[C:43]=[O:44])[cH:37][c:38]([F:41])[cH:39][cH:40]1.[OH2:45].[OH:27][C:28]([C:29]([F:30])([F:31])[F:32])=[O:33]>>[N:8]1([C:43]([NH:42][c:36]2[c:35]([F:34])[cH:40][cH:39][c:38]([F:41])[cH:37]2)=[O:44])[CH2:9][CH2:10][C:11]2([CH2:12][N:13]([CH2:17][c:18]3[cH:19][c:20]([Br:24])[cH:21][cH:22][cH:23]3)[C:14](=[O:16])[O:15]2)[CH2:25][CH2:26]1
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반응물 6

HCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 8857Ethyl AcetateHCID 27332661,4-Difluoro-2-isocyanatobenzeneHCID 576662773-(3-Bromobenzyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid tert-butyl ester

생성물 1

HCID 11992220
3-(3-Bromobenzyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylic acid (2,5-difluorophenyl)amide

출처 및 근거

ORD 기록
ord-e7cc0c7ea0a042d48d6b019142053203
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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