Chloride → Methyl 5-chloro-2-(4-fluorobenzyl)nicotinate

HRID 98698Notes

Reaction equation

HRID 98698 reaction equation
[Cl-:13].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][n:11]1.[F:14][c:15]1[cH:16][cH:17][c:18]([CH2:19][Zn+:20])[cH:21][cH:22]1.[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28]1.[OH2:23].[cH:29]1[cH:30][cH:31][c:32]([P:33]([Pd:34]([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)([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)([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([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)[P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([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)[cH:104][cH:105]1>>[c:2]1([CH2:19][c:18]2[cH:17][cH:16][c:15]([F:14])[cH:22][cH:21]2)[c:3]([C:4](=[O:5])[O:6][CH3:7])[cH:8][c:9]([Cl:12])[cH:10][n:11]1

Participants

7

Sources & evidence

ORD record
ord-fb72b559b7344140b8f167837b8d04a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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