Water → HCID 22130218, compound

HRID 167685Notes

Reaction equation

HRID 167685 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[nH:13][c:14]([S:20][c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[c:15]([CH:17]([CH3:18])[CH3:19])[n:16]1.[CH3:44][C:45]#[N:46].[Li+:29].[Li+:30].[O-:31][C:32](=[O:33])[O-:34].[OH2:47].[S:35]([O:36][CH2:37][CH3:38])([O:41][CH2:39][CH3:40])(=[O:42])=[O:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[n:13]([CH2:39][CH3:40])[c:14]([S:20][c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[c:15]([CH:17]([CH3:18])[CH3:19])[n:16]1

Participants

7

Reactant 6

HCID 962WaterHCID 6163Diethyl SulfateHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 28486Lithium ion2×HCID 178440070HCID 178440070, compound

Product 1

HCID 22130218HCID 22130218, compound

Sources & evidence

ORD record
ord-f0a25317e87144dcb66a166c3432479e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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