Butylamine → 1-(4-(4-Aminophenyl)-3-butynyl)-4-(4-chlorobenzyl)piperidine
Reaction equation
[CH2:27]([NH2:28])[CH2:29][CH2:30][CH3:31].[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.[I:19][c:20]1[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]1.[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([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)[cH:107][cH:108]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:20]3[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]3)[CH2:11][CH2:12]2)[cH:17][cH:18]1Participants
5
Sources & evidence
- ORD record
- ord-0b755eed0215408b9fbeecb96f5bce01
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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