2-Chlorobenzoyl isocyanate → 1-(2-Chlorobenzoyl)-3-[5-(4-chlorophenyl)-2-pyrazinyl]urea

HRID 297390

반응식

HRID 297390 반응식
[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:9][c:10]2[n:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([C:22]([F:23])([F:24])[F:25])[cH:20][cH:21]3)[n:14][cH:15]2)[cH:26][cH:27][cH:28][cH:29]1.[Cl:47][c:48]1[cH:49][cH:50][cH:51][cH:52][c:53]1[C:54]([N:55]=[C:56]=[O:57])=[O:58].[NH2:30][c:31]1[cH:32][n:33][c:34](-[c:35]2[cH:36][cH:37][c:38]([C:39]([F:40])([F:41])[F:42])[cH:43][cH:44]2)[cH:45][n:46]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][C:7](=[O:8])[NH:9][c:10]2[n:11][cH:12][c:13](-[c:16]3[cH:17][cH:18][c:19]([Cl:47])[cH:20][cH:21]3)[n:14][cH:15]2)[cH:26][cH:27][cH:28][cH:29]1

참가 물질

4

반응물 3

HCID 99423112-Chlorobenzoyl isocyanateHCID 133411061-(2-Chlorobenzoyl)-3-[5-(alpha,alpha,alpha-trifluoro-p-tolyl)-2-pyrazinyl]ureaHCID 205670592-Amino-5-(4-trifluoromethylphenyl)pyrazine

생성물 1

HCID 133410931-(2-Chlorobenzoyl)-3-[5-(4-chlorophenyl)-2-pyrazinyl]urea

출처 및 근거

ORD 기록
ord-c7e0c21d3e7e428e85a15e24509545d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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