Citric Acid → HCID 86630879, compound
Reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:47][C:48]#[N:49].[CH:26]1([C:31](=[O:32])[Cl:33])[CH2:27][CH2:28][CH2:29][CH2:30]1.[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:18])[c:7](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]([F:11])[c:9]1[OH:10].[OH:34][C:35]([CH2:36][C:37]([C:38](=[O:39])[OH:40])([CH2:41][C:42](=[O:43])[OH:44])[OH:45])=[O:46]>>[NH2:1][c:2]1[c:3]([C:4]#[N:5])[c:6]([CH3:18])[c:7](-[c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:8]([F:11])[c:9]1[O:10][C:31]([CH:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1)=[O:32]Participants
6
Sources & evidence
- ORD record
- ord-e6f7ed925eeb4081b450deb3107575dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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