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Hexafluorophosphate → 2-Methyl-6-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}benzo[b]thiophene-3-carboxylic acid (cyclopropylmethyl)amide

HRID 159117
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인쇄 미리보기

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HRID 159117 반응식
[CH3:1][c:2]1[c:3]([C:27](=[O:28])[OH:29])[c:4]2[c:5]([s:6]1)[cH:7][c:8]([O:11][c:12]1[c:13]3[c:14]([n:15][cH:16][cH:17]1)[cH:18][c:19](-[c:21]1[n:22]([CH3:26])[cH:23][cH:24][n:25]1)[s:20]3)[cH:9][cH:10]2.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[NH2:30][CH2:31][CH:32]1[CH2:33][CH2:34]1.[P-:44]([F:45])([F:46])([F:47])([F:48])([F:49])[F:50].[n:51]1([O:52][C:53]([N:54]([CH3:55])[CH3:56])=[N+:57]([CH3:58])[CH3:59])[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[CH3:1][c:2]1[c:3]([C:27](=[O:28])[NH:30][CH2:31][CH:32]2[CH2:33][CH2:34]2)[c:4]2[c:5]([s:6]1)[cH:7][c:8]([O:11][c:12]1[c:13]3[c:14]([n:15][cH:16][cH:17]1)[cH:18][c:19](-[c:21]1[n:22]([CH3:26])[cH:23][cH:24][n:25]1)[s:20]3)[cH:9][cH:10]2
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 9886HexafluorophosphateHCID 75646CyclopropanemethanamineHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 221435462-Methyl-6-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}benzo[b]thiophene-3-carboxylic acid

생성물 1

HCID 20767915
2-Methyl-6-{[2-(1-methyl-1H-imidazol-2-yl)thieno[3,2-b]pyridin-7-yl]oxy}benzo[b]thiophene-3-carboxylic acid (cyclopropylmethyl)amide

출처 및 근거

ORD 기록
ord-1cd672b9a34f447386d6193f14f8a10a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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