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Acetate → Triphenylamine

HRID 193658
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HRID 193658 반응식
[C:52]([PH+:53]([C:54]([CH3:55])([CH3:56])[CH3:57])[C:58]([CH3:59])([CH3:60])[CH3:61])([CH3:62])([CH3:63])[CH3:64].[CH3:21][C:22]([CH3:23])([O-:24])[CH3:25].[Cl:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[NH:8]([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[Na+:26].[O-:66][C:67]([CH3:68])=[O:69].[O-:70][C:71]([CH3:72])=[O:73].[Pd+2:65].[c:27]1([B-:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:74]1([CH3:75])[c:76]([CH3:77])[cH:78][cH:79][cH:80][cH:81]1>>[c:2]1([N:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 175Acetate2회HCID 923Sodium IonHCID 7237O-XyleneHCID 7964ChlorobenzeneHCID 8934TetraphenylborateHCID 11487DiphenylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)
HCID 4060964
Tri-t-butylphosphonium
HCID 45749132-Methylpropan-2-olate

생성물 1

HCID 11775Triphenylamine

출처 및 근거

ORD 기록
ord-1add4bd97aab41e59930bc31d8f6f913
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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