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Acetate → HCID 178471305, 화합물

HRID 201169
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HRID 201169 반응식
[C:57]([BH3-:58])#[N:59].[CH2:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[O:38][C:39](=[O:40])[N:41]1[CH2:42][CH2:43][CH:44]([CH2:47][CH2:48][CH2:49][C:50]([C:51](=[O:52])[O:53][CH2:54][CH3:55])=[O:56])[CH2:45][CH2:46]1.[CH3:27][C:28](=[O:29])[O-:30].[CH3:61][CH2:62][OH:63].[CH3:64][C:65](=[O:66])[OH:67].[ClH:1].[NH2:2][CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:22][cH:23][cH:24][cH:25]2)[N:8]([CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10].[Na+:26].[Na+:60]>>[NH:2]([CH:3]1[CH2:4][O:5][c:6]2[c:7]([cH:22][cH:23][cH:24][cH:25]2)[N:8]([CH2:11][C:12](=[O:13])[O:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10])[CH:50]([CH2:49][CH2:48][CH2:47][CH:44]1[CH2:43][CH2:42][N:41]([C:39]([O:38][CH2:31][c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)=[O:40])[CH2:46][CH2:45]1)[C:51](=[O:52])[O:53][CH2:54][CH3:55]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium Ion2회HCID 498716Cyano-borohydrideHCID 14855086Ethyl 5-(1-benzyloxycarbonyl-4-piperidyl)-2-oxovalerate
HCID 18317227
Benzyl 2-(3-amino-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate

생성물 1

HCID 178471305HCID 178471305, 화합물

출처 및 근거

ORD 기록
ord-4243e790071b48aa93b4394945308153
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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