Water → HCID 178498491, compound

HRID 169126Notes

Reaction equation

HRID 169126 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:11][CH:12]2[CH2:13][CH:14]([C:24](=[O:25])[O:26][CH3:27])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]2)[cH:9][cH:10]1.[Br:28][c:29]1[cH:30][c:31]2[c:32](=[O:47])[cH:33][c:34](-[c:41]3[cH:42][cH:43][cH:44][cH:45][cH:46]3)[nH:35][c:36]2[cH:37][c:38]1[O:39][CH3:40].[C:48](=[O:49])([O-:50])[O-:51].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH3:60][N:61]1[CH2:62][CH2:63][CH2:64][CH2:65]1.[Cs+:52].[Cs+:53].[OH2:66]>>[O:11]([CH:12]1[CH2:13][CH:14]([C:24](=[O:25])[O:26][CH3:27])[N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]1)[c:32]1[c:31]2[cH:30][c:29]([Br:28])[c:38]([O:39][CH3:40])[cH:37][c:36]2[n:35][c:34](-[c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[cH:33]1

Participants

8

Reactant 7

HCID 962WaterHCID 84541-MethylpyrrolidineHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 20752709HCID 20752709, compoundHCID 57617105HCID 57617105, compound

Product 1

HCID 178498491HCID 178498491, compound

Sources & evidence

ORD record
ord-e50d5639c83e492395468eee081af427
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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