Sodium ion → HCID 3013585, compound

HRID 173487Notes

Reaction equation

HRID 173487 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:47]2)[CH:20]=[C:21]([C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([S:37][CH2:38][c:39]4[n:40][n:41][cH:42][n:43]4[CH2:44][CH2:45][CH3:46])[cH:35][cH:36]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH3:27])[cH:13][cH:14]1.[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][CH:76]([CH3:77])[O-:78].[CH3:79][CH:80]([CH3:81])[O-:82].[CH3:83][CH:84]([CH3:85])[O-:86].[CH3:87][CH:88]([CH3:89])[O-:90].[Na+:66].[Na+:67].[O-:48][OH:49].[O-:50][OH:51].[OH2:92].[S:61]([O-:62])(=[O:63])([O-:64])=[S:65].[Ti+4:91].[c:52]1([CH:53]([CH3:54])[CH3:55])[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:47]2)[CH:20]=[C:21]([C:28](=[O:29])[NH:30][c:31]2[cH:32][cH:33][c:34]([S:37]([CH2:38][c:39]4[n:40][n:41][cH:42][n:43]4[CH2:44][CH2:45][CH3:46])=[O:63])[cH:35][cH:36]2)[CH2:22][CH2:23][N:24]3[CH2:25][CH2:26][CH3:27])[cH:13][cH:14]1

Participants

10

Reactant 9

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 1140TolueneHCID 7406CumeneHCID 18500Perhydroxyl radical2×HCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 69521425HCID 69521425, compound

Product 1

HCID 3013585HCID 3013585, compound

Sources & evidence

ORD record
ord-5114e4a485e548baaf8197016ea4c679
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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