Acetate → HCID 21928167, compound
Reaction equation
[Br:40][c:41]1[cH:42][cH:43][c:44]2[c:48]([cH:49]1)[NH:47][C:46](=[O:50])[CH2:45]2.[C:51](=[O:52])([O-:53])[O-:54].[CH3:36][C:37](=[O:38])[O-:39].[K+:35].[K+:55].[K+:56].[NH2:1][c:2]1[c:3]([C:32](=[O:33])[NH2:34])[s:4][c:5]2[n:6][c:7]([N:15]3[CH2:16][CH2:17][CH:18]([NH:21][CH2:22][CH:23]([OH:24])[c:25]4[n:26][cH:27][c:28]([Br:31])[cH:29][cH:30]4)[CH2:19][CH2:20]3)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[c:10]12.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[OH2:62].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([P:69]([c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([P:88]([c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[NH2:1][c:2]1[c:3]([C:32](=[O:33])[NH2:34])[s:4][c:5]2[n:6][c:7]([N:15]3[CH2:16][CH2:17][CH:18]([NH:21][CH2:22][CH:23]([OH:24])[c:25]4[n:26][cH:27][c:28](-[c:41]5[cH:42][cH:43][c:44]6[c:48]([cH:49]5)[NH:47][C:46](=[O:50])[CH2:45]6)[cH:29][cH:30]4)[CH2:19][CH2:20]3)[cH:8][c:9]([C:11]([F:12])([F:13])[F:14])[c:10]12Participants
9
Sources & evidence
- ORD record
- ord-2463779d07e04d569599a640bcd4284f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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