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Pyridine → N-(3-{[2-(acetylamino)-7-cyano-1,3-benzothiazol-6-yl]oxy}phenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide

HRID 1131880
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반응식

HRID 1131880 반응식
[CH3:46][C:47](=[O:48])[Cl:49].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:13][c:14]3[c:15]([C:29]#[N:30])[c:16]4[c:17]([n:18][c:19]([NH:21][C:22](=[O:23])[CH:24]5[CH2:25][CH2:26]5)[s:20]4)[cH:27][cH:28]3)[cH:10][cH:11][cH:12]2)[cH:31][cH:32][cH:33][c:34]1[C:35]([CH3:36])([CH3:37])[C:38]#[N:39].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][c:7]2[cH:8][c:9]([O:13][c:14]3[c:15]([C:29]#[N:30])[c:16]4[c:17]([n:18][c:19]([NH:21][C:22](=[O:23])[CH3:24])[s:20]4)[cH:27][cH:28]3)[cH:10][cH:11][cH:12]2)[cH:31][cH:32][cH:33][c:34]1[C:35]([CH3:36])([CH3:37])[C:38]#[N:39]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 1049PyridineHCID 6367Acetyl chlorideHCID 8028TetrahydrofuranHCID 462223542-chloro-N-[3-({7-cyano-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide

생성물 1

HCID 59454509N-(3-{[2-(acetylamino)-7-cyano-1,3-benzothiazol-6-yl]oxy}phenyl)-2-chloro-3-(1-cyano-1-methylethyl)benzamide

출처 및 근거

ORD 기록
ord-81e9bde50b404c9f94d22d998da9d068
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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