Water → HCID 66828962, compound

HRID 1142650Notes

Reaction equation

HRID 1142650 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([C:39](=[O:40])[OH:41])[cH:6][c:7](-[c:9]2[n:10][n:11]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:12]3[c:13]2[c:14]([O:18][CH3:19])[n:15][cH:16][cH:17]3)[cH:8]1.[Cs+:50].[Cs+:51].[I:42][CH:43]([CH3:44])[CH3:45].[OH2:63]>>[CH:1]([CH3:2])([CH3:3])[n:4]1[c:5]([C:39](=[O:40])[O:41][CH:43]([CH3:44])[CH3:45])[cH:6][c:7](-[c:9]2[n:10][n:11]([C:20]([c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)[c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:12]3[c:13]2[c:14]([O:18][CH3:19])[n:15][cH:16][cH:17]3)[cH:8]1

Participants

8

Reactant 7

HCID 962WaterHCID 6362Isopropyl iodideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 66825369HCID 66825369, compound

Product 1

HCID 66828962HCID 66828962, compound

Sources & evidence

ORD record
ord-9343b3dbf877437d9d7b265b14e7f04a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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