Water → HCID 57788046, compound

HRID 685733Notes

Reaction equation

HRID 685733 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH2:57]([Cl:58])[Cl:59].[CH3:53][C:54]#[N:55].[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[n:6][cH:7][n:8][c:9]2[cH:10][c:11]([O:20][CH2:21][CH2:22][CH2:23][S:24](=[O:25])(=[N:26][S:27]([c:28]3[cH:29][cH:30][c:31]([N+:32]([O-:33])=[O:34])[cH:35][cH:36]3)(=[O:37])=[O:38])[CH3:39])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:13][c:14]12.[Cs+:44].[Cs+:45].[OH2:56].[SH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1>>[CH:1]([CH3:2])([CH3:3])[NH:4][c:5]1[n:6][cH:7][n:8][c:9]2[cH:10][c:11]([O:20][CH2:21][CH2:22][CH2:23][S:24](=[O:25])(=[NH:26])[CH3:39])[c:12]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[cH:13][c:14]12

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7969ThiophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 57788011HCID 57788011, compound

Product 1

HCID 57788046HCID 57788046, compound

Sources & evidence

ORD record
ord-b37400c1f7f649f88ba3f585330c451e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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