Butylamine → HCID 18428007, 화합물
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[CH2:28]([NH2:29])[CH2:30][CH2:31][CH3:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][C:15]#[CH:16])[CH2:11][CH2:12]2)[cH:17][cH:18]1.[F:19][c:20]1[c:21]([NH2:22])[cH:23][cH:24][c:25]([I:27])[cH:26]1.[cH:33]1[cH:34][cH:35][c:36]([P:37]([Pd:38]([P:39]([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)[c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[cH:108][cH:109]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH:7]2[CH2:8][CH2:9][N:10]([CH2:13][CH2:14][C:15]#[C:16][c:25]3[cH:24][cH:23][c:21]([NH2:22])[c:20]([F:19])[cH:26]3)[CH2:11][CH2:12]2)[cH:17][cH:18]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-4022a26b669049f5a7b77c45b06b59dd
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
- DOI