Water → HCID 57788015, compound

HRID 682691Notes

Reaction equation

HRID 682691 reaction equation
[C:38](=[O:39])([O-:40])[O-:41].[CH2:55]([Cl:56])[Cl:57].[CH3:51][C:52]#[N:53].[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:17][CH2:18][CH2:19][CH2:20][CH2:21][S:22](=[O:23])(=[N:24][S:25]([c:26]3[cH:27][cH:28][c:29]([N+:30]([O-:31])=[O:32])[cH:33][cH:34]3)(=[O:35])=[O:36])[CH3:37])[c:12]([O:15][CH3:16])[cH:13][c:14]12.[Cs+:42].[Cs+:43].[OH2:54].[SH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]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:17][CH2:18][CH2:19][CH2:20][CH2:21][S:22](=[O:23])(=[NH:24])[CH3:37])[c:12]([O:15][CH3:16])[cH:13][c:14]12

Participants

8

Reactant 7

HCID 962WaterHCID 6342AcetonitrileHCID 6344DichloromethaneHCID 7969ThiophenolHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 57787964HCID 57787964, compound

Product 1

HCID 57788015HCID 57788015, compound

Sources & evidence

ORD record
ord-5b80c3dec7e24c6ba172129d425b1b7a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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