Dimethyl Sulfoxide → HCID 53987411, compound

HRID 212014Notes

Reaction equation

HRID 212014 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH2:60]([O:61][CH2:62][CH3:63])[CH3:64].[CH3:56][S:57]([CH3:58])=[O:59].[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15]([C:16](=[N:17][OH:18])[c:19]1[n:20][c:21]([NH:24][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[s:22][cH:23]1)=[O:44].[Cl:51][CH2:52][C:53]#[N:54].[K+:49].[K+:50].[OH2:55]>>[CH:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[O:14][C:15]([C:16](=[N:17][O:18][CH2:52][C:53]#[N:54])[c:19]1[n:20][c:21]([NH:24][C:25]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)([c:32]2[cH:33][cH:34][cH:35][cH:36][cH:37]2)[c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[s:22][cH:23]1)=[O:44]

Participants

8

Reactant 7

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 962WaterHCID 3283Diethyl EtherHCID 7856ChloroacetonitrileHCID 19660Carbonate IonHCID 88662905HCID 88662905, compound

Product 1

HCID 53987411HCID 53987411, compound

Sources & evidence

ORD record
ord-f9f2d2c7e68542dd8c86438fc3980102
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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