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Potassium Cation → 4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-benzoic acid

HRID 140629
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HRID 140629 반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][cH:8][c:9](-[c:10]2[cH:11][n:12][c:13]([NH2:14])[c:15](-[c:16]3[s:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[n:24]3)[cH:25]2)[cH:26]1.[CH3:27][O:28][C:29]([c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][n:38][c:39]([NH2:51])[c:40](-[c:42]3[s:43][c:44]4[c:45]([n:46]3)[cH:47][cH:48][cH:49][cH:50]4)[cH:41]2)[cH:34][cH:35]1)=[O:52].[K+:53].[K+:54].[O-:55][C:56]([O-:57])=[O:58].[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[OH2:65]>>[O:28]=[C:29]([c:30]1[cH:31][cH:32][c:33](-[c:36]2[cH:37][n:38][c:39]([NH2:51])[c:40](-[c:42]3[s:43][c:44]4[c:45]([n:46]3)[cH:47][cH:48][cH:49][cH:50]4)[cH:41]2)[cH:34][cH:35]1)[OH:52]
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 67520373HCID 67520373, 화합물HCID 675205364-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-benzoic acid methyl ester

생성물 1

HCID 67521090
4-(6-Amino-5-benzothiazol-2-ylpyridin-3-yl)-benzoic acid

출처 및 근거

ORD 기록
ord-3efcf9cdbb8c45ad94a70b5c00a13f1e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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