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Ethanol → 6-Amino-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (5-phenoxy-thiophen-2-ylmethyl)-amide

HRID 818725
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인쇄 미리보기

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HRID 818725 반응식
[CH2:1]([O:2][C:4](=[O:5])[c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[NH2:12])[nH:13][cH:14][cH:15]2)[CH3:3].[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:66][CH2:67][OH:68].[Na+:17].[O:52]([c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[c:59]1[cH:60][cH:61][c:62]([CH2:64][NH2:65])[s:63]1.[OH-:16].[P-:25]([F:26])([F:27])([F:28])([F:29])([F:30])[F:31].[n:32]1([O:33][P+:34]([N:35]([CH3:36])[CH3:37])([N:38]([CH3:39])[CH3:40])[N:41]([CH3:42])[CH3:43])[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[C:4](=[O:5])([c:6]1[cH:7][c:8]2[c:9]([n:10][c:11]1[NH2:12])[nH:13][cH:14][cH:15]2)[NH:65][CH2:64][c:62]1[cH:61][cH:60][c:59]([O:52][c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[s:63]1
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 702EthanolHCID 923Sodium IonHCID 961HydroxideHCID 8471TriethylamineHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 23130515C-(5-Phenoxy thiophen-2-yl)methylamine
HCID 58387889
Ethyl 6-amino-1H-pyrrolo[2,3-B]pyridine-5-carboxylate

생성물 1

HCID 583880046-Amino-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid (5-phenoxy-thiophen-2-ylmethyl)-amide

출처 및 근거

ORD 기록
ord-9eea8665a6484de38bc3190bc8c43513
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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