Sodium ion → HCID 136146829, compound

HRID 170556Notes

Reaction equation

HRID 170556 reaction equation
[CH2:59]([Cl:60])[Cl:61].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Na+:57].[Na+:58].[OH2:51].[OH:1][CH:2]1[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12](-[n:15]3[c:16]([CH3:44])[n:17][c:18]([CH2:41][CH2:42][CH3:43])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30](-[c:35]6[n:36][o:37][c:38](=[O:40])[nH:39]6)[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]3=[O:21])[cH:13][cH:14]2)[CH2:6][CH2:7]1.[S:52]([O-:53])([O-:54])(=[O:55])=[S:56]>>[O:1]=[C:2]1[CH2:3][CH2:4][CH:5]([O:8][c:9]2[cH:10][cH:11][c:12](-[n:15]3[c:16]([CH3:44])[n:17][c:18]([CH2:41][CH2:42][CH3:43])[c:19]([CH2:22][c:23]4[cH:24][cH:25][c:26](-[c:29]5[c:30](-[c:35]6[n:36][o:37][c:38](=[O:40])[nH:39]6)[cH:31][cH:32][cH:33][cH:34]5)[cH:27][cH:28]4)[c:20]3=[O:21])[cH:13][cH:14]2)[CH2:6][CH2:7]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 136146870HCID 136146870, compound

Product 1

HCID 136146829HCID 136146829, compound

Sources & evidence

ORD record
ord-6a20d1200931418191fbd3a46eb5bfac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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