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Pyridine → Methyl 6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy]-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazole-7-carboxylate

HRID 167731
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HRID 167731 반응식
[CH:36]1([C:39](=[O:40])[Cl:41])[CH2:37][CH2:38]1.[NH2:1][c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:15][c:16]1[cH:17][c:18]([NH:22][C:23](=[O:24])[c:25]3[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[C:34]#[N:35])[cH:28][cH:29][cH:30]3)[cH:19][cH:20][cH:21]1)[c:10]2[C:11](=[O:12])[O:13][CH3:14].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([c:2]1[s:3][c:4]2[c:5]([n:6]1)[cH:7][cH:8][c:9]([O:15][c:16]1[cH:17][c:18]([NH:22][C:23](=[O:24])[c:25]3[cH:26][c:27]([C:31]([CH3:32])([CH3:33])[C:34]#[N:35])[cH:28][cH:29][cH:30]3)[cH:19][cH:20][cH:21]1)[c:10]2[C:11](=[O:12])[O:13][CH3:14])[C:39]([CH:36]1[CH2:37][CH2:38]1)=[O:40]
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반응물 3

HCID 1049PyridineHCID 77637Cyclopropanecarbonyl chlorideHCID 71818881Methyl 2-amino-6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy]-1,3-benzothiazole-7-carboxylate

생성물 1

HCID 59454479Methyl 6-[3-({[3-(1-cyano-1-methylethyl)phenyl]carbonyl}amino)phenoxy]-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazole-7-carboxylate

출처 및 근거

ORD 기록
ord-86eb9807ec0e46d9af6568a38a18479e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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