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Ethanol → 3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-one

HRID 145029
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HRID 145029 반응식
[CH3:49][CH2:50][OH:51].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Cl:29][CH2:30][CH2:31][CH2:32][N:33]1[CH2:34][CH2:35][N:36]([c:39]2[n:40][c:41]3[cH:42][cH:43][cH:44][cH:45][c:46]3[cH:47][cH:48]2)[CH2:37][CH2:38]1.[K+:15].[NH2:16][c:17]1[s:18][c:19]([CH3:20])[c:21]([CH3:22])[c:23]1[C:24]([O:25][CH2:26][CH3:27])=[O:28].[NH2:1][n:2]1[c:3]([S-:14])[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:13])[c:10]([CH3:12])[s:11]2>>[NH2:1][n:2]1[c:3]([S:14][CH2:30][CH2:31][CH2:32][N:33]2[CH2:34][CH2:35][N:36]([c:39]3[n:40][c:41]4[cH:42][cH:43][cH:44][cH:45][c:46]4[cH:47][cH:48]3)[CH2:37][CH2:38]2)[n:4][c:5]2[c:6]([c:7]1=[O:8])[c:9]([CH3:13])[c:10]([CH3:12])[s:11]2
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참가 물질

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반응물 6

HCID 702EthanolHCID 813Potassium CationHCID 6212ChloroformHCID 78536Ethyl 2-amino-4,5-dimethyl3-thenoateHCID 30355894-(Chloropropyl)-1-(2-quinolyl)piperazineHCID 1010766533-Amino-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidine-2-thiolate

생성물 1

HCID 11190823
3-amino-5,6-dimethyl-2-[3-(4-quinolin-2-ylpiperazin-1-yl)-propylthio]-3H-thieno[2,3-d]pyrimidin-4-one

출처 및 근거

ORD 기록
ord-3c662e5a6db44fd598e73242d6ad83f2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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