Ethanol → 4-Chloro-2-(pyridin-3-yl)thiazole
Reaction equation
[CH3:17][CH2:18][OH:19].[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl:10][c:11]1[s:12][cH:13][c:14]([Cl:16])[n:15]1.[K+:20].[K+:21].[O-:22][C:23]([O-:24])=[O:25].[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.[n:1]1[cH:2][c:3]([B:7]([OH:8])[OH:9])[cH:4][cH:5][cH:6]1>>[n:1]1[cH:2][c:3](-[c:11]2[s:12][cH:13][c:14]([Cl:16])[n:15]2)[cH:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-e64bcdccb4bc47cf9252291e49436bc8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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