Acetate → HCID 5329345, compound
Reaction equation
[Br:1][c:2]1[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2.[CH3:27][N:28]([CH3:29])[C:30](=[O:31])[CH3:32].[K+:26].[O-:22][C:23]([CH3:24])=[O:25].[OH2:33].[cH:17]1[cH:18][s:19][cH:20][n:21]1.[cH:34]1[cH:35][cH:36][c:37]([P:38]([Pd:39]([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[cH:109][cH:110]1>>[c:2]1(-[c:18]2[cH:17][n:21][cH:20][s:19]2)[cH:3][n:4][c:5]2[n:6]1[cH:7][cH:8][c:9](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:10]2Participants
8
Sources & evidence
- ORD record
- ord-b3786b1c239d48b396b83970e273b932
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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