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Ammonium → Tert-butyl 4-(2-(3-phenoxy-5-(thieno[3,2-b]pyridin-7-ylthio)pyridin-2-ylamino)thiazol-4-yl)piperidine-1-carboxylate

HRID 122130
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HRID 122130 반응식
[CH3:1][O:2][C:3](=[O:4])[CH2:5][CH2:39][S:6][c:7]1[cH:8][c:9]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:10]([NH:13][c:14]2[s:15][cH:16][c:17]([CH:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[n:18]2)[n:11][cH:12]1.[CH3:50][C:51]([O-:52])([CH3:53])[CH3:54].[CH3:58][S:59]([CH3:60])=[O:61].[Cl-:56].[Cl:40][c:41]1[c:42]2[c:43]([n:44][cH:45][cH:46]1)[cH:47][cH:48][s:49]2.[K+:55].[NH4+:57]>>[S:6]([c:7]1[cH:8][c:9]([O:32][c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[c:10]([NH:13][c:14]2[s:15][cH:16][c:17]([CH:19]3[CH2:20][CH2:21][N:22]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[CH2:23][CH2:24]3)[n:18]2)[n:11][cH:12]1)[c:41]1[c:42]2[c:43]([n:44][cH:45][cH:46]1)[cH:47][cH:48][s:49]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 223AmmoniumHCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 45749132-Methylpropan-2-olateHCID 112752517-Chlorothieno[3,2-b]pyridineHCID 86631496Tert-butyl 4-(2-(5-(3-methoxy-3-oxopropylthio)-3-phenoxypyridin-2-ylamino)thiazol-4-yl)piperidine-1-carboxylate

생성물 1

HCID 86631497Tert-butyl 4-(2-(3-phenoxy-5-(thieno[3,2-b]pyridin-7-ylthio)pyridin-2-ylamino)thiazol-4-yl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-148c5561092b4acb965ccff186c24823
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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