Citric Acid → HCID 18962909, compound

HRID 2160485Notes

Reaction equation

HRID 2160485 reaction equation
[CH2:68]([OH:69])[CH3:70].[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH:71]([Cl:72])([Cl:73])[Cl:74].[F:1][c:2]1[cH:3][c:4]([CH2:26][N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[c:5]2[c:6]([cH:7]1)-[c:8]1[n:9](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:10][c:11]([C:15]([CH2:16][C:17]#[N:18])=[O:19])[c:12]1[CH2:13][O:14]2.[OH2:67].[OH:49][C:50]([CH2:51][C:52]([C:53](=[O:54])[OH:55])([CH2:56][C:57](=[O:58])[OH:59])[OH:60])=[O:61].[c:33]1([N:39]=[C:40]=[O:41])[cH:34][cH:35][cH:36][cH:37][cH:38]1>>[F:1][c:2]1[cH:3][c:4]([CH2:26][N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[c:5]2[c:6]([cH:7]1)-[c:8]1[n:9](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:10][c:11]([C:15]([CH:16]([C:17]#[N:18])[C:40]([NH:39][c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)=[O:41])=[O:19])[c:12]1[CH2:13][O:14]2

Participants

9

Reactant 8

HCID 311Citric AcidHCID 702EthanolHCID 962WaterHCID 6212ChloroformHCID 6228DimethylformamideHCID 7672Phenyl isocyanateHCID 8471TriethylamineHCID 19808379HCID 19808379, compound

Product 1

HCID 18962909HCID 18962909, compound

Sources & evidence

ORD record
ord-9126203d7a474398aa1daf9c9ee9e90e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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