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Bicarbonate Ion → 7-Amino-2-benzhydryloxycarbonyl-3-[2-(pyrid-3-yl-amino)-thiazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

HRID 1231839
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인쇄 미리보기

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HRID 1231839 반응식
[C:51](=[O:52])([OH:53])[O-:54].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:56][C:57]#[N:58].[CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[C:22]1=[C:29]([c:30]2[cH:31][n:32][c:33]([NH:35][c:36]3[cH:37][n:38][cH:39][cH:40][cH:41]3)[s:34]2)[CH2:28][S:27][CH:26]2[N:23]1[C:24](=[O:50])[CH:25]2[NH:42][C:43]([O:44][C:45]([CH3:46])([CH3:47])[CH3:48])=[O:49].[Na+:55]>>[CH:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[O:19][C:20](=[O:21])[C:22]1=[C:29]([c:30]2[cH:31][n:32][c:33]([NH:35][c:36]3[cH:37][n:38][cH:39][cH:40][cH:41]3)[s:34]2)[CH2:28][S:27][CH:26]2[N:23]1[C:24](=[O:50])[CH:25]2[NH2:42]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 6395Methanesulfonic AcidHCID 204024442-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-[2-(pyrid-3-yl-amino)-thiazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

생성물 1

HCID 13960531
7-Amino-2-benzhydryloxycarbonyl-3-[2-(pyrid-3-yl-amino)-thiazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

출처 및 근거

ORD 기록
ord-07c4764bcb354c8d9c3ad52f5348ccbf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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