Toluene → HCID 178471945, 화합물

HRID 165061

반응식

HRID 165061 반응식
[CH3:19][C:20]([O:21][C:22]([CH3:23])=[O:24])=[O:25].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH:26]([O:27][CH2:28][CH3:29])([O:30][CH2:31][CH3:32])[O:33][CH2:34][CH3:35].[NH2:36][C:37]1([CH2:41][CH:42]([CH3:43])[OH:44])[CH2:38][CH2:39][CH2:40]1.[O:1]=[C:2]([CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8])[c:9]1[c:10]([F:18])[c:11]([F:17])[c:12]([F:16])[c:13]([F:15])[cH:14]1>>[O:1]=[C:2]([C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])=[CH:19][NH:36][C:37]1([CH2:41][CH:42]([CH3:43])[OH:44])[CH2:38][CH2:39][CH2:40]1)[c:9]1[c:10]([F:18])[c:11]([F:17])[c:12]([F:16])[c:13]([F:15])[cH:14]1

참가 물질

6

반응물 5

HCID 1140TolueneHCID 7918Acetic AnhydrideHCID 31214Ethyl orthoformateHCID 600916Ethyl 3-oxo-(2,3,4,5-tetrafluorophenyl)propanoateHCID 552844011-Amino-1-(2-hydroxypropan-1-yl)cyclobutane

생성물 1

HCID 178471945HCID 178471945, 화합물

출처 및 근거

ORD 기록
ord-e2e737eaa141492995217974df708b75
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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