2-Butenedioic acid → HCID 21220988, compound

HRID 1142088Notes

Reaction equation

HRID 1142088 reaction equation
[C:47](=[O:48])([O-:49])[O-:50].[CH3:61][C:62]#[N:63].[F:23][C:24]([F:25])([F:26])[C:27]([OH:28])=[O:29].[K+:51].[K+:52].[NH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][c:36]1[C:37](=[O:38])[NH:39][CH2:40][CH:41]1[CH2:42][CH2:43][NH:44][CH2:45][CH2:46]1.[OH:53][C:54]([CH:55]=[CH:56][C:57](=[O:58])[OH:59])=[O:60].[c:1]1([CH3:2])[cH:3][cH:4][c:5]([S:6]([O:7][CH2:11][CH:12]2[CH2:13][O:14][c:15]3[c:16]([cH:18][cH:19][cH:20][cH:21]3)[O:17]2)(=[O:8])=[O:9])[cH:10][cH:22]1>>[CH2:11]([CH:12]1[CH2:13][O:14][c:15]2[c:16]([cH:18][cH:19][cH:20][cH:21]2)[O:17]1)[N:44]1[CH2:43][CH2:42][CH:41]([CH2:40][NH:39][C:37]([c:36]2[c:31]([NH2:30])[n:32][cH:33][cH:34][cH:35]2)=[O:38])[CH2:46][CH2:45]1

Participants

8

Reactant 7

HCID 7232-Butenedioic acidHCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 4522296(2,3-Dihydrobenzo[b][1,4]dioxin-2-yl)methyl 4-methylbenzenesulfonateHCID 21221050HCID 21221050, compound

Product 1

HCID 21220988HCID 21220988, compound

Sources & evidence

ORD record
ord-07f57af015e84f3abc348b4e1ba23d5f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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