Citric Acid → HCID 66934252, compound

HRID 171387

Reaction equation

HRID 171387 reaction equation
[CH3:56][OH:57].[CH:35]1([N:40]=[C:41]=[O:42])[CH2:36][CH2:37][CH2:38][CH2:39]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[s:11][cH:12][c:13]([CH3:15])[n:14]2)([c:16]2[cH:17][c:18]([F:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[NH:27][S:28]([C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[n:6][cH:7]1.[ClH:34].[OH:43][C:44]([CH2:45][C:46]([C:47](=[O:48])[OH:49])([CH2:50][C:51](=[O:52])[OH:53])[OH:54])=[O:55]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[s:11][cH:12][c:13]([CH3:15])[n:14]2)([c:16]2[cH:17][c:18]([F:26])[cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]2)[NH:27][C:41]([NH:40][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39]2)=[O:42])[n:6][cH:7]1

Participants

6

Reactant 5

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 887MethanolHCID 643500Cyclopentyl IsocyanateHCID 72463475HCID 72463475, compound

Product 1

HCID 66934252HCID 66934252, compound

Sources & evidence

ORD record
ord-013d0dac7cee4d629c915d01cb4ae45c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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