Bicarbonate Ion → HCID 178436145, compound

HRID 698436Notes

Reaction equation

HRID 698436 reaction equation
[C:68](=[O:69])([OH:70])[O-:71].[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][CH:14]1[CH:15]([CH2:53][O:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[CH:16]([OH:52])[CH:17]([c:36]2[cH:37][c:38]([CH2:43][c:44]3[cH:45][cH:46][c:47]([CH2:50][CH3:51])[cH:48][cH:49]3)[c:39]([Cl:42])[cH:40][cH:41]2)[CH:18]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH:19]1[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1.[CH3:1][C:2]([OH:3])([CH3:4])[CH3:5].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[Cl:73][CH2:74][Cl:75].[Na+:66].[Na+:67].[Na+:72].[S:62]([O-:63])([O-:64])=[O:65]>>[CH2:6]([c:7]1[cH:8][cH:9][cH:10][cH:11][cH:12]1)[O:13][CH:14]1[CH:15]([CH2:53][O:54][CH2:55][c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[C:16](=[O:52])[CH:17]([c:36]2[cH:37][c:38]([CH2:43][c:44]3[cH:45][cH:46][c:47]([CH2:50][CH3:51])[cH:48][cH:49]3)[c:39]([Cl:42])[cH:40][cH:41]2)[CH:18]([O:28][CH2:29][c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[CH:19]1[O:20][CH2:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1099SulfiteHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8857Ethyl AcetateHCID 178436146HCID 178436146, compound

Product 1

HCID 178436145HCID 178436145, compound

Sources & evidence

ORD record
ord-e3450dfef7d04ecfafa8e6d56e13b40f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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