Formic Acid → HCID 66697345, compound

HRID 1561419Notes

Reaction equation

HRID 1561419 reaction equation
[Br:1][c:2]1[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:24])[c:20](=[O:23])[n:21]3[CH3:22])[cH:25][cH:26]2)[CH3:27])[cH:6][cH:7]1.[C:29](=[O:30])([O-:31])[O-:32].[C:35](#[N:36])[CH2:37][c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1.[CH:54]([OH:55])=[O:56].[Cs+:33].[Cs+:34].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1.[OH2:47]>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([CH2:37][C:35]#[N:36])[cH:43][cH:42]2)[cH:3][c:4]([Cl:28])[c:5]([CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]2[cH:16][c:17]3[c:18]([n:19]([CH3:24])[c:20](=[O:23])[n:21]3[CH3:22])[cH:25][cH:26]2)[CH3:27])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 284Formic AcidHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 27733424-(Cyanomethyl)benzeneboronic acidHCID 67545637HCID 67545637, compound

Product 1

HCID 66697345HCID 66697345, compound

Sources & evidence

ORD record
ord-5210b3e17cf0451d952b4c6c51f9a677
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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