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Potassium Cation → 2-(4-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylic acid

HRID 2145002
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HRID 2145002 반응식
[CH3:46][OH:47].[K+:45].[OH-:44].[OH2:48].[s:1]1[c:2]([NH:10][C:11](=[O:12])[N:13]2[c:14]3[c:15]([cH:19][cH:20][c:21](-[c:23]4[s:24][c:25]([N:33]([CH2:34][CH2:35][O:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH3:43])[c:26]([C:28](=[O:29])[O:30][CH2:31][CH3:32])[n:27]4)[cH:22]3)[O:16][CH2:17][CH2:18]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2>>[s:1]1[c:2]([NH:10][C:11](=[O:12])[N:13]2[c:14]3[c:15]([cH:19][cH:20][c:21](-[c:23]4[s:24][c:25]([N:33]([CH2:34][CH2:35][O:36][c:37]5[cH:38][cH:39][cH:40][cH:41][cH:42]5)[CH3:43])[c:26]([C:28](=[O:29])[OH:30])[n:27]4)[cH:22]3)[O:16][CH2:17][CH2:18]2)[n:3][c:4]2[c:5]1[cH:6][cH:7][cH:8][cH:9]2
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반응물 5

HCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 59418665ethyl 2-(4-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylate

생성물 1

HCID 46840789
2-(4-(benzo[d]thiazol-2-ylcarbamoyl)-3,4-dihydro-2H-benzo[b][1,4]oxazin-6-yl)-5-(methyl(2-phenoxyethyl)amino)thiazole-4-carboxylic acid

출처 및 근거

ORD 기록
ord-77d9f37997514c7dabb0ce5718ca1aa7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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