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Methane → N-[3-({7-amino-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide

HRID 1540699
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HRID 1540699 반응식
[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([O:18][c:19]3[c:20]([N+:34]([O-:35])=[O:36])[c:21]4[c:22]([n:23][c:24]([NH:26][C:27](=[O:28])[CH:29]5[CH2:30][CH2:31]5)[s:25]4)[cH:32][cH:33]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38][cH:39]1.[C:47].[CH3:40][N:41]1[C:42](=[O:43])[CH2:44][CH2:45][CH2:46]1.[Pd:48]>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([O:18][c:19]3[c:20]([NH2:34])[c:21]4[c:22]([n:23][c:24]([NH:26][C:27](=[O:28])[CH:29]5[CH2:30][CH2:31]5)[s:25]4)[cH:32][cH:33]3)[cH:15][cH:16][cH:17]2)[cH:37][cH:38][cH:39]1
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 297MethaneHCID 13387N-methyl-2-pyrrolidoneHCID 23938PalladiumHCID 594544843-(1-cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-7-nitro-1,3-benzothiazol-6-yl}oxy)phenyl]benzamide

생성물 1

HCID 59454488N-[3-({7-amino-2-[(cyclopropylcarbonyl)amino]-1,3-benzothiazol-6-yl}oxy)phenyl]-3-(1-cyano-1-methylethyl)benzamide

출처 및 근거

ORD 기록
ord-e17b55d91fd24bdfb339f5825d3b9ca2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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