Toluene → HCID 18439324, 화합물
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[Br:21][c:22]1[cH:23][s:24][c:25]([Cl:27])[cH:26]1.[CH3:1][Sn:2]([c:3]1[cH:4][c:5]2[c:6]([n:7][cH:8]1)[O:9][C:10]1([CH2:11][N:12]3[CH2:13][CH2:14][CH:15]1[CH2:16][CH2:17]3)[CH2:18]2)([CH3:19])[CH3:20].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([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)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[cH:110][cH:111]1>>[c:3]1(-[c:22]2[cH:23][s:24][c:25]([Cl:27])[cH:26]2)[cH:4][c:5]2[c:6]([n:7][cH:8]1)[O:9][C:10]1([CH2:11][N:12]3[CH2:13][CH2:14][CH:15]1[CH2:16][CH2:17]3)[CH2:18]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-712a929e51bf4268818587b88810f743
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)