Dimethyl Sulfoxide → HCID 178443525, compound

HRID 2318749Notes

Reaction equation

HRID 2318749 reaction equation
[CH3:75][S:76]([CH3:77])=[O:78].[NH2:1][c:2]1[n:3][c:4]([NH2:29])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH:23]([OH:24])[CH:25]([CH2:27][OH:28])[O:26]3)[c:9]2[n:10]1.[NH2:30][c:31]1[n:32][c:33]2[c:34]([n:35][cH:36][n:37]2[CH:38]2[O:39][CH:40]([CH2:41][OH:43])[CH:44]([O:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54])[CH:55]2[OH:42])[c:56]([NH2:57])[n:58]1.[NH2:67][C:68]([CH2:69][OH:70])([CH2:71][OH:72])[CH2:73][OH:74].[Na+:64].[Na+:65].[Na+:66].[P:59]([O-:60])([O-:61])([O-:62])=[O:63]>>[NH2:1][c:2]1[nH:3][c:4](=[O:42])[c:5]2[n:6][cH:7][n:8]([CH:11]3[CH:12]([O:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH:23]([OH:24])[CH:25]([CH2:27][OH:28])[O:26]3)[c:9]2[n:10]1

Participants

7

Reactant 6

HCID 679Dimethyl SulfoxideHCID 923Sodium ion3×HCID 1061PhosphateHCID 6503Tris(hydroxymethyl)aminomethaneHCID 178443516HCID 178443516, compoundHCID 178443523HCID 178443523, compound

Product 1

HCID 178443525HCID 178443525, compound

Sources & evidence

ORD record
ord-53d1e5371dd743a99354a2ecf4142953
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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