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Diisopropylamine → 4-(3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-ylethynyl)-benzoic acid ethyl ester

HRID 1550823
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인쇄 미리보기

반응식

HRID 1550823 반응식
[C:1](#[CH:2])[c:3]1[cH:4][c:5]2[c:6]([cH:14][cH:15]1)[O:7][CH2:8][C:9]([CH3:12])([CH3:13])[CH2:10][O:11]2.[CH2:16]([CH3:17])[O:18][C:19]([c:20]1[cH:21][cH:22][c:23]([Br:26])[cH:24][cH:25]1)=[O:27].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:83][CH2:84][O:85][C:86]([CH3:87])=[O:88].[CH:28]([NH:29][CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[Cu:81][I:82].[Pd:40]([Cl:41])[Cl:42].[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1>>[C:1](#[C:2][c:23]1[cH:22][cH:21][c:20]([C:19]([O:18][CH2:16][CH3:17])=[O:27])[cH:25][cH:24]1)[c:3]1[cH:4][c:5]2[c:6]([cH:14][cH:15]1)[O:7][CH2:8][C:9]([CH3:12])([CH3:13])[CH2:10][O:11]2
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2회HCID 22043Ethyl 4-bromobenzoateHCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 59852695
7-Ethynyl-3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepine

생성물 1

HCID 112910384-(3,3-dimethyl-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-ylethynyl)-benzoic acid ethyl ester

출처 및 근거

ORD 기록
ord-8938eb60d7a34204b415f556f34db587
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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