Acetone → 1,3-Bis-(4-benzoyl-3-hydroxyphenoxy)-prop-2-yl 2-cyano-3,3-dimethylacrylate

HRID 1116765

반응식

HRID 1116765 반응식
[C:9](#[N:10])[CH2:11][C:12](=[O:13])[O:14][CH:15]([CH2:16][O:17][c:18]1[cH:19][c:20]([OH:32])[c:21]([C:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:31])[cH:22][cH:23]1)[CH2:33][O:34][c:35]1[cH:36][c:37]([OH:49])[c:38]([C:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[cH:39][cH:40]1.[CH3:50][C:51]([CH3:52])=[O:53].[OH:1][S:2]([C:3]([F:4])([F:5])[F:6])(=[O:7])=[O:8]>>[C:9](#[N:10])[C:11]([C:12](=[O:13])[O:14][CH:15]([CH2:16][O:17][c:18]1[cH:19][c:20]([OH:32])[c:21]([C:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)=[O:31])[cH:22][cH:23]1)[CH2:33][O:34][c:35]1[cH:36][c:37]([OH:49])[c:38]([C:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)=[O:48])[cH:39][cH:40]1)=[C:51]([CH3:50])[CH3:52]

참가 물질

4

반응물 3

HCID 180AcetoneHCID 62406Trifluoromethanesulfonic acidHCID 538270821,3-Bis-(4-benzoyl-3-hydroxyphenoxy)-prop-2-yl cyanoacetate

생성물 1

HCID 543990671,3-Bis-(4-benzoyl-3-hydroxyphenoxy)-prop-2-yl 2-cyano-3,3-dimethylacrylate

출처 및 근거

ORD 기록
ord-2eed208f6eec48148057f16b6475fa3a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

연결된 노트

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