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

HRID 93094
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HRID 93094 반응식
[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:10])[OH:11])[cH:12][cH:13][cH:14]1.[CH3:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[NH2:26][c:27]1[cH:28][c:29]([O:30][c:31]2[cH:32][c:33]3[c:34]([n:35][c:36]([NH:38][C:39](=[O:40])[CH:41]4[CH2:42][CH2:43]4)[o:37]3)[cH:44][cH:45]2)[cH:46][cH:47][cH:48]1.[S:15]([Cl:16])([Cl:17])=[O:18].[cH:58]1[cH:59][cH:60][n:61][cH:62][cH:63]1>>[C:1](#[N:2])[C:3]([CH3:4])([CH3:5])[c:6]1[cH:7][c:8]([C:9](=[O:11])[NH:26][c:27]2[cH:28][c:29]([O:30][c:31]3[cH:32][c:33]4[c:34]([n:35][c:36]([NH:38][C:39](=[O:40])[CH:41]5[CH2:42][CH2:43]5)[o:37]4)[cH:44][cH:45]3)[cH:46][cH:47][cH:48]2)[cH:12][cH:13][cH:14]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1049PyridineHCID 1140TolueneHCID 142844-(Dimethylamino)pyridineHCID 24386Thionyl ChlorideHCID 571495383-(2-Cyanopropan-2-yl)benzoic acidHCID 67312021N-[6-(3-aminophenoxy)-1,3-benzooxazol-2-yl]cyclopropanecarboxamide

생성물 1

HCID 58349036
3-(1-cyano-1-methylethyl)-N-[3-({2-[(cyclopropylcarbonyl)amino]-1,3-benzooxazol-6-yl}oxy)phenyl]benzamide

출처 및 근거

ORD 기록
ord-daedebe7cb8949b9998a20b7bcdba81e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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