Citric Acid → HCID 178441605, compound

HRID 195688Notes

Reaction equation

HRID 195688 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[C:6](=[O:58])[NH:7][C:8](=[O:57])[C:9]1=[CH:10][c:11]1[n:12]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][n:35][n:36][n:37]4[C:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)([c:45]4[cH:46][cH:47][cH:48][cH:49][cH:50]4)[c:51]4[cH:52][cH:53][cH:54][cH:55][cH:56]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:13]([CH2:16][CH2:17][CH2:18][CH3:19])[n:14][cH:15]1.[CH3:59][OH:60].[OH2:74].[OH:61][C:62]([CH2:63][C:64]([C:65](=[O:66])[OH:67])([CH2:68][C:69](=[O:70])[OH:71])[OH:72])=[O:73]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]1[C:6](=[O:58])[NH:7][C:8](=[O:57])[C:9]1=[CH:10][c:11]1[n:12]([CH2:20][c:21]2[cH:22][cH:23][c:24](-[c:27]3[c:28](-[c:33]4[n:34][n:35][n:36][nH:37]4)[cH:29][cH:30][cH:31][cH:32]3)[cH:25][cH:26]2)[c:13]([CH2:16][CH2:17][CH2:18][CH3:19])[n:14][cH:15]1

Participants

5

Reactant 4

HCID 311Citric AcidHCID 887MethanolHCID 962WaterHCID 67786743HCID 67786743, compound

Product 1

HCID 178441605HCID 178441605, compound

Sources & evidence

ORD record
ord-5b34ea5aa0074459829624e57095a67d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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