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Bicarbonate Ion → Benzhydryl 7-amino-3-[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

HRID 299642
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HRID 299642 반응식
[C:55](=[O:56])([OH:57])[O-:58].[CH2:52]([Cl:53])[Cl:54].[CH3:1][S:2](=[O:3])(=[O:4])[OH:5].[CH3:49][C:50]#[N:51].[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](=[O:37])[O:38][CH3:39])[s:34]2)[CH2:28][S:27][CH:26]2[N:23]1[C:24](=[O:48])[CH:25]2[NH:40][C:41]([O:42][C:43]([CH3:44])([CH3:45])[CH3:46])=[O:47].[Na+:59]>>[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](=[O:37])[O:38][CH3:39])[s:34]2)[CH2:28][S:27][CH:26]2[N:23]1[C:24](=[O:48])[CH:25]2[NH2:40]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 769Bicarbonate IonHCID 923Sodium IonHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 6395Methanesulfonic AcidHCID 204304182-Benzhydryloxycarbonyl-7-t-butoxycarbonylamino-3-(2-methoxycarbonylamino-thiazol-5-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene

생성물 1

HCID 20430458
Benzhydryl 7-amino-3-[2-(methoxycarbonylamino)-1,3-thiazol-5-yl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

출처 및 근거

ORD 기록
ord-e5307474add1438a993ea0e6f2789013
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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