Protocatechuic Acid → HCID 178429670, compound

HRID 1114253Notes

Reaction equation

HRID 1114253 reaction equation
[CH3:43][C:44]#[N:45].[F:39][B:40]([F:41])[F:42].[NH2:1][CH:2]1[CH:3]2[S:4][CH2:5][C:6]([CH2:14][S:15][c:16]3[cH:17][c:18]([CH3:27])[n:19][c:20]4[n:21]3[n:22][c:23]([CH2:25][OH:26])[n:24]4)=[C:7]([C:11](=[O:12])[OH:13])[N:8]2[C:9]1=[O:10].[OH:28][C:29](=[O:30])[c:31]1[cH:32][cH:33][c:34]([OH:35])[c:36]([OH:37])[cH:38]1>>[NH2:1][CH:2]1[CH:3]2[S:4][CH2:5][C:6]([CH2:14][S:15][c:16]3[cH:17][c:18]([CH3:27])[n:19][c:20]4[n:21]3[n:22][c:23]([CH2:25][O:26][C:29](=[O:28])[c:31]3[cH:32][cH:33][c:34]([OH:35])[c:36]([OH:37])[cH:38]3)[n:24]4)=[C:7]([C:11](=[O:12])[OH:13])[N:8]2[C:9]1=[O:10]

Participants

5

Reactant 4

HCID 72Protocatechuic AcidHCID 6342AcetonitrileHCID 6356Boron trifluorideHCID 19917938HCID 19917938, compound

Product 1

HCID 178429670HCID 178429670, compound

Sources & evidence

ORD record
ord-fd74069e64e14df185fb9fe355ba9989
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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