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Methanol → HCID 86755057, 화합물

HRID 1556375
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HRID 1556375 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[C:11]([I:27])=[CH:12][CH2:13][CH:14]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:15]2([C:17](=[O:18])[O:19][CH3:20])[CH2:16]1.[CH2:28]([CH3:29])[c:30]1[cH:31][cH:32][c:33]([B:36]([OH:37])[OH:38])[cH:34][cH:35]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][OH:53].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)([c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[C:11]([c:33]3[cH:32][cH:31][c:30]([CH2:28][CH3:29])[cH:35][cH:34]3)=[CH:12][CH2:13][CH:14]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[C:15]2([C:17](=[O:18])[O:19][CH3:20])[CH2:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 887MethanolHCID 923Sodium Ion2회HCID 1140TolueneHCID 19660Carbonate IonHCID 2734352Boronic acid, (4-ethylphenyl)-HCID 86755053HCID 86755053, 화합물HCID 178420554HCID 178420554, 화합물

생성물

1
HCID 86755057HCID 86755057, 화합물

출처 및 근거

ORD 기록
ord-843c9579d7784f96b1caa24b5dc5f8e1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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