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Toluene → HCID 58307296, 화합물

HRID 691680
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HRID 691680 반응식
[C:31](=[O:32])([O-:33])[O-:34].[CH3:16][N:17]([CH2:18][CH2:19][O:20][c:21]1[cH:22][c:23]([O:28][CH3:29])[c:24]([NH2:27])[cH:25][cH:26]1)[CH3:30].[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([I:14])[cH:11][cH:12][cH:13]1)=[O:15].[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[Cl:44][CH2:45][Cl:46].[Cs+:35].[Cs+:36].[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:47].[Pd:48]>>[CH3:1][O:2][C:3]([c:4]1[c:5]([C:6](=[O:7])[O:8][CH3:9])[c:10]([NH:27][c:24]2[c:23]([O:28][CH3:29])[cH:22][c:21]([O:20][CH2:19][CH2:18][N:17]([CH3:16])[CH3:30])[cH:26][cH:25]2)[cH:11][cH:12][cH:13]1)=[O:15]
참가 물질출처 및 근거반응 노트

참가 물질

9

반응물 8

HCID 1140TolueneHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 104967Cesium cation2회HCID 2326127Dimethyl 3-iodophthalate
HCID 58307228
927672-74-0

생성물 1

HCID 58307296HCID 58307296, 화합물

출처 및 근거

ORD 기록
ord-cf2fe117b1064583b9d5a99174e219f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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