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Acetic Acid → 8-Isopropyl-2,2,4,4-tetramethyl-chroman-6-carboxylic acid 4-(2-carboxy-vinyl)-phenyl ester

HRID 1146193
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HRID 1146193 반응식
[C:1]([SiH:2]([CH3:3])[CH3:4])([CH3:5])([CH3:6])[CH3:7].[CH2:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[O:22][C:23](=[O:24])[CH:25]=[CH:26][c:27]1[cH:28][cH:29][c:30]([O:33][C:34](=[O:35])[c:36]2[cH:37][c:38]3[c:43]([c:44]([CH:46]([CH3:47])[CH3:48])[cH:45]2)[O:42][C:41]([CH3:49])([CH3:50])[CH2:40][C:39]3([CH3:51])[CH3:52])[cH:31][cH:32]1.[CH2:8]([N:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[CH3:14].[CH3:53][C:54](=[O:55])[OH:56].[Cl:57][CH2:58][Cl:59].[O:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[OH2:60]>>[O:22]=[C:23]([OH:24])[CH:25]=[CH:26][c:27]1[cH:28][cH:29][c:30]([O:33][C:34](=[O:35])[c:36]2[cH:37][c:38]3[c:43]([c:44]([CH:46]([CH3:47])[CH3:48])[cH:45]2)[O:42][C:41]([CH3:49])([CH3:50])[CH2:40][C:39]3([CH3:51])[CH3:52])[cH:31][cH:32]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 176Acetic AcidHCID 962WaterHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 5072427tert-ButyldimethylsilaneHCID 690737328-Isopropyl-2,2,4,4-tetramethyl-chroman-6-carboxylic acid 4-(2-benzyloxycarbonyl-vinyl)-phenyl ester

생성물 1

HCID 690714768-Isopropyl-2,2,4,4-tetramethyl-chroman-6-carboxylic acid 4-(2-carboxy-vinyl)-phenyl ester

출처 및 근거

ORD 기록
ord-deade09d1150428f9e6415c803634fec
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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