Sodium ion → HCID 86603409, compound
Reaction equation
[Cl:104][CH2:105][Cl:106].[F:48][C:49]([F:50])([F:51])[c:52]1[cH:53][c:54]([CH:55]([NH:56][C:57](=[O:58])[O:59][C:60]([CH3:61])([CH3:62])[CH3:63])[CH2:64][NH:65][CH2:66][c:67]2[cH:68][c:69]([C:70]([F:71])([F:72])[F:73])[cH:74][cH:75][c:76]2-[c:77]2[cH:78][c:79]([CH:80]([CH3:81])[CH3:82])[cH:83][cH:84][c:85]2[O:86][CH3:87])[cH:88][c:89]([C:90]([F:91])([F:92])[F:93])[cH:94]1.[F:95][C:96]([F:97])([F:98])[C:99]([OH:100])=[O:101].[NH2:1][CH:2]([CH2:3][N:4]([C:5](=[O:6])[O:7][C:8]([CH3:9])([CH3:10])[CH3:11])[CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:32][CH3:33])[cH:25][cH:26][c:27]([CH:29]([CH3:30])[CH3:31])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[c:34]1[cH:35][c:36]([C:44]([F:45])([F:46])[F:47])[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1.[Na+:103].[OH-:102]>>[NH2:1][CH:2]([CH2:3][NH:4][CH2:12][c:13]1[c:14](-[c:23]2[c:24]([O:32][CH3:33])[cH:25][cH:26][c:27]([CH:29]([CH3:30])[CH3:31])[cH:28]2)[cH:15][cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]1)[c:34]1[cH:35][c:36]([C:44]([F:45])([F:46])[F:47])[cH:37][c:38]([C:40]([F:41])([F:42])[F:43])[cH:39]1Participants
7
Sources & evidence
- ORD record
- ord-3d7697b738644e57a53542c12ed18be8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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