Toluene → 2-Chloro-6-(1-ethoxyvinyl)-isonicotinic acid methyl ester

HRID 134893

반응식

HRID 134893 반응식
[CH2:32]([Sn:33]([CH2:34][CH2:35][CH2:36][CH3:42])([C:37](=[CH2:38])[O:39][CH2:40][CH3:41])[CH2:43][CH2:44][CH2:45][CH3:46])[CH2:47][CH2:48][CH3:49].[CH3:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([Cl:11])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12].[c:13]1([P:14]([c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:27][cH:28][cH:29][cH:30][cH:31]1.[cH:50]1[cH:51][cH:52][c:53]([P:54]([Pd:55]([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[cH:125][cH:126]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([C:37](=[CH2:38])[O:39][CH2:40][CH3:41])[n:7][c:8]([Cl:10])[cH:9]1)=[O:12]

참가 물질

6

출처 및 근거

ORD 기록
ord-ee38ebab1bda4fdf8e6e0c3120ec48f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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