Bicarbonate Ion → HCID 5330457, compound
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([Cl:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1.[C:56](=[O:57])([OH:58])[O-:59].[CH2:25]([CH3:26])[N:27]1[CH2:28][CH2:29][N:30]([CH2:33][CH2:34][c:35]2[cH:36][cH:37][c:38]([B:41]3[O:42][C:43]([CH3:44])([CH3:45])[C:46]([CH3:47])([CH3:48])[O:49]3)[cH:39][cH:40]2)[CH2:31][CH2:32]1.[CH3:50][O:51][CH2:52][CH2:53][O:54][CH3:55].[Na+:60].[Pd:61].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:119]1([P:120]([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134][cH:135][cH:136][cH:137]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:38]2[cH:37][cH:36][c:35]([CH2:34][CH2:33][N:30]3[CH2:29][CH2:28][N:27]([CH2:25][CH3:26])[CH2:32][CH2:31]3)[cH:40][cH:39]2)[cH:3][cH:4][c:5]2[c:6]([NH:14][c:15]3[c:16]([Cl:24])[cH:17][c:18]([Cl:23])[c:19]([O:21][CH3:22])[cH:20]3)[c:7]([C:12]#[N:13])[cH:8][n:9][c:10]2[cH:11]1Participants
8
Sources & evidence
- ORD record
- ord-2cf42b2260e64618a722c356426c28e8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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