Butylamine → 1-(4-(4-Aminophenyl)-3-butynyl)-4-(4-chlorophenyl)-4-hydroxypiperidine
Reaction equation
[CH2:1]([CH2:2][C:3]#[CH:4])[N:5]1[CH2:6][CH2:7][C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1.[CH2:27]([NH2:28])[CH2:29][CH2:30][CH3:31].[I:19][c:20]1[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]1.[Pd:32].[c:33]1([P:34]([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:47][cH:48][cH:49][cH:50][cH:51]1.[c:52]1([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[cH:66][cH:67][cH:68][cH:69][cH:70]1.[c:71]1([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[cH:85][cH:86][cH:87][cH:88][cH:89]1.[c:90]1([P:91]([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)[cH:104][cH:105][cH:106][cH:107][cH:108]1>>[CH2:1]([CH2:2][C:3]#[C:4][c:20]1[cH:21][cH:22][c:23]([NH2:24])[cH:25][cH:26]1)[N:5]1[CH2:6][CH2:7][C:8]([OH:11])([c:12]2[cH:13][cH:14][c:15]([Cl:18])[cH:16][cH:17]2)[CH2:9][CH2:10]1Participants
6
Sources & evidence
- ORD record
- ord-37695422e04b4a9786a86014dea4896f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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