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Toluene → Ethyl 3-(4-{[3-(dimethylamino)benzyl]oxy}phenyl)-3-ethoxypropionate

HRID 293162
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HRID 293162 반응식
[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[cH:12][cH:13][c:14]([OH:17])[cH:15][cH:16]1.[CH3:18][N:19]([c:20]1[cH:21][c:22]([CH2:26][OH:27])[cH:23][cH:24][cH:25]1)[CH3:28].[N:55]([C:56]([O:57][CH2:58][CH3:59])=[O:60])=[N:61][C:62]([O:63][CH2:64][CH3:65])=[O:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1.[c:48]1([CH3:49])[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][C:6](=[O:7])[O:8][CH2:9][CH3:10])[c:11]1[cH:12][cH:13][c:14]([O:17][CH2:26][c:22]2[cH:21][c:20]([N:19]([CH3:18])[CH3:28])[cH:25][cH:24][cH:23]2)[cH:15][cH:16]1
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 1140TolueneHCID 8028TetrahydrofuranHCID 11776TriphenylphosphineHCID 90133m-(Dimethylamino)benzyl alcoholHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 67058135Ethyl 3-ethoxy-3-(4-hydroxyphenyl)propionate

생성물 1

HCID 67058211
Ethyl 3-(4-{[3-(dimethylamino)benzyl]oxy}phenyl)-3-ethoxypropionate

출처 및 근거

ORD 기록
ord-162976fc2fd74897b88b5b574cd29aaf
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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