Citric Acid → HCID 178521991, compound

HRID 1572150Notes

Reaction equation

HRID 1572150 reaction equation
[Br:37][c:38]1[c:39]([CH2:40][O:41][c:42]2[c:43]([NH2:44])[cH:45][cH:46][cH:47][cH:48]2)[cH:49][c:50]([F:53])[cH:51][cH:52]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1.[Cl:30][C:31]([O:32][CH2:33][CH3:34])=[O:35].[ClH:36].[N:8]1([c:13]2[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[N:22]3[CH:23]([C:24](=[O:25])[OH:26])[CH2:27][CH2:28][CH2:29]3)[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1.[OH2:74].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[N:8]1([c:13]2[cH:14][cH:15][c:16]([CH2:19][C:20](=[O:21])[N:22]3[CH:23]([C:24](=[O:26])[NH:44][c:43]4[c:42]([O:41][CH2:40][c:39]5[c:38]([Br:37])[cH:52][cH:51][c:50]([F:53])[cH:49]5)[cH:48][cH:47][cH:46][cH:45]4)[CH2:27][CH2:28][CH2:29]3)[cH:17][cH:18]2)[CH2:9][CH2:10][CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 1140TolueneHCID 79724-MethylmorpholineHCID 10928Ethyl chloroformateHCID 11109221HCID 11109221, compoundHCID 22934148HCID 22934148, compound

Product 1

HCID 178521991HCID 178521991, compound

Sources & evidence

ORD record
ord-b65001202979448db8771c694e3c399a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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