Chloride → 4-Ethoxycarbonyl-5-ethynylthiazole
Reaction equation
[CH2:12]([CH2:13][CH2:25][CH3:26])[Sn:14]([CH2:15][CH2:16][CH2:17][CH3:18])([CH2:19][CH2:20][CH2:21][CH3:22])[C:23]#[CH:24].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][s:9][c:10]1[I:11].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[Cl-:112].[Cl-:114].[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57].[Zn+2:113].[o:27]1[cH:28][cH:29][cH:30][c:31]1[P:32]([c:33]1[o:34][cH:35][cH:36][cH:37]1)[c:38]1[o:39][cH:40][cH:41][cH:42]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][s:9][c:10]1[C:12]#[CH:13]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-ed03c56ac70b4b4a84dbb6aeebfa2a5b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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