Carbonate Ion → HCID 22732293, compound

HRID 2127968Notes

Reaction equation

HRID 2127968 reaction equation
[C:55](=[O:56])([O-:57])[O-:58].[CH3:61][N:62]([CH3:63])[C:64](=[O:65])[CH3:66].[Cs+:59].[Cs+:60].[OH:1][c:2]1[c:3]([O:35][CH3:36])[cH:4][c:5]2[c:6]([NH:12][c:13]3[c:14]([CH3:34])[cH:15][cH:16][c:17]([NH:19][C:20](=[O:21])[c:22]4[cH:23][c:24]([N:28]5[CH2:29][CH2:30][O:31][CH2:32][CH2:33]5)[n:25][cH:26][cH:27]4)[cH:18]3)[n:7][cH:8][n:9][c:10]2[cH:11]1.[c:37]1([CH3:38])[cH:39][cH:40][c:41]([S:42]([O:43][CH2:47][CH2:48][n:49]2[n:50][n:51][cH:52][cH:53]2)(=[O:44])=[O:45])[cH:46][cH:54]1>>[O:1]([c:2]1[c:3]([O:35][CH3:36])[cH:4][c:5]2[c:6]([NH:12][c:13]3[c:14]([CH3:34])[cH:15][cH:16][c:17]([NH:19][C:20](=[O:21])[c:22]4[cH:23][c:24]([N:28]5[CH2:29][CH2:30][O:31][CH2:32][CH2:33]5)[n:25][cH:26][cH:27]4)[cH:18]3)[n:7][cH:8][n:9][c:10]2[cH:11]1)[CH2:47][CH2:48][n:49]1[n:50][n:51][cH:52][cH:53]1

Participants

6

Reactant 5

HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 104967Cesium cation2×HCID 226671112-(1H-1,2,3-triazol-1-yl)ethyl 4-methyl-1-benzenesulfonateHCID 136116301HCID 136116301, compound

Product 1

HCID 22732293HCID 22732293, compound

Sources & evidence

ORD record
ord-c4041997799c4457bb270dc0ff8124e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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