Dichloromethane → (7-Chlorospiro[benzo[b]pyrrolo[1,2-d][1,4]oxazine-4,4'-piperidine]-1'-yl)(2-fluoro-5-methoxyphenyl)methanone

HRID 298843

반응식

HRID 298843 반응식
[CH3:32][CH2:33][N:34]=[C:35]=[N:36][CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[O:7][C:8]1([c:9]3[n:10]-2[cH:11][cH:12][cH:13]3)[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]1.[Cl:50][CH2:51][Cl:52].[F:20][c:21]1[c:22]([C:23](=[O:24])[OH:25])[cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:19]1)[O:7][C:8]1([c:9]3[n:10]-2[cH:11][cH:12][cH:13]3)[CH2:14][CH2:15][N:16]([C:23]([c:22]2[c:21]([F:20])[cH:29][cH:28][c:27]([O:30][CH3:31])[cH:26]2)=[O:24])[CH2:17][CH2:18]1

참가 물질

6

반응물 5

HCID 6344DichloromethaneHCID 8471TriethylamineHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 27745432-Fluoro-5-methoxybenzoic acidHCID 585513057'-Chlorospiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]

생성물 1

HCID 58550967(7-Chlorospiro[benzo[b]pyrrolo[1,2-d][1,4]oxazine-4,4'-piperidine]-1'-yl)(2-fluoro-5-methoxyphenyl)methanone

출처 및 근거

ORD 기록
ord-bc8bde1a80f144b0bbfbfbaca6b6ff36
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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