Hydrochloric Acid → HCID 68432434, 화합물

HRID 1552184

반응식

HRID 1552184 반응식
[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][C:7]([N:8]2[CH2:9][CH2:10][C:11](=[O:12])[NH:13][CH2:14][CH2:15]2)=[O:16])[cH:17][cH:18][c:19]1[Cl:20].[Cl:40][c:41]1[c:42]([F:52])[cH:43][c:44]([CH:45]=[CH:46][C:47](=[O:48])[OH:49])[cH:50][cH:51]1.[ClH:21].[ClH:22].[N:23]1([CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][NH:35][CH2:36][CH2:37][C:38]2=[O:39])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1>>[N:23]1([CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][N:35]([C:47]([CH:46]=[CH:45][c:44]3[cH:43][c:42]([F:52])[c:41]([Cl:40])[cH:51][cH:50]3)=[O:48])[CH2:36][CH2:37][C:38]2=[O:39])[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1

참가 물질

6

반응물 5

HCID 313Hydrochloric Acid2회HCID 8857Ethyl AcetateHCID 27736453-(4-Chloro-3-fluorophenyl)prop-2-enoic acidHCID 66783026HCID 66783026, 화합물HCID 670748421-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one

생성물 1

HCID 68432434HCID 68432434, 화합물

출처 및 근거

ORD 기록
ord-52cd39e016684076b37981bfef09b1b1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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