Toluene → t-Butyl {2-[4-(3-oxo-propenyl)-benzoylamino]-phenyl}-carbamate

HRID 110818

반응식

HRID 110818 반응식
[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:12][cH:13][cH:14][cH:15]2)[cH:24][cH:25]1.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[CH:45][CH:46]=[O:47])[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[c:3]1([CH:48]=[CH:45][CH:46]=[O:47])[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([NH:16][C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:12][cH:13][cH:14][cH:15]2)[cH:24][cH:25]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 75051(Triphenylphosphoranylidene)acetaldehydeHCID 22668143Tert-butyl {2-[(4-formylbenzoyl)amino]phenyl}carbamate

생성물 1

HCID 72479807t-Butyl {2-[4-(3-oxo-propenyl)-benzoylamino]-phenyl}-carbamate

출처 및 근거

ORD 기록
ord-2e42698788174a718f3a7d2b55fa8272
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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