Sodium ion → HCID 22018379, compound
Reaction equation
[CH3:94][S:95]([Cl:96])(=[O:97])=[O:98].[Cl:101][CH2:102][Cl:103].[NH2:54][c:55]1[cH:56][c:57]2[cH:58][cH:59][c:60]([C:65]([CH:66]([CH3:67])[CH3:68])([OH:69])[c:70]3[n:71][cH:72][n:73]([C:75]([c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)([c:82]4[cH:83][cH:84][cH:85][cH:86][cH:87]4)[c:88]4[cH:89][cH:90][cH:91][cH:92][cH:93]4)[cH:74]3)[cH:61][c:62]2[cH:63][cH:64]1.[Na+:100].[OH-:99].[c:1]1([C:2](=[N:3][c:4]2[cH:5][c:6]3[c:7]([cH:8][cH:9]2)[cH:10][c:11]([C:12]([c:13]2[n:14][cH:15][n:16]([C:17]([c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)([c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[c:30]4[cH:31][cH:32][cH:33][cH:34][cH:35]4)[cH:36]2)([OH:37])[CH:38]([CH3:39])[CH3:40])[cH:41][cH:42]3)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][cH:50][cH:51][cH:52][cH:53]1.[cH:104]1[cH:105][cH:106][n:107][cH:108][cH:109]1>>[NH:54]([c:55]1[cH:56][c:57]2[cH:58][cH:59][c:60]([C:65]([CH:66]([CH3:67])[CH3:68])([OH:69])[c:70]3[n:71][cH:72][n:73]([C:75]([c:76]4[cH:77][cH:78][cH:79][cH:80][cH:81]4)([c:82]4[cH:83][cH:84][cH:85][cH:86][cH:87]4)[c:88]4[cH:89][cH:90][cH:91][cH:92][cH:93]4)[cH:74]3)[cH:61][c:62]2[cH:63][cH:64]1)[S:95]([CH3:94])(=[O:97])=[O:98]Participants
8
Sources & evidence
- ORD record
- ord-7766d3dddee247f9b2db260c872fe833
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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