Citric Acid → HCID 178452305, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:25](=[O:26])[N:27]2[CH2:28][S:29][CH2:30][CH2:31]2)[CH2:10][CH:11]([NH:13][S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([C:23]#[N:24])[cH:21][cH:22]2)[CH2:12]1.[C:33]([c:34]1[cH:35][cH:36][c:37]([S:38]([NH:39][CH:40]2[CH2:41][NH:42][CH:43]([C:44]([N:45]3[CH2:46][CH2:47][S:48][CH2:49]3)=[O:50])[CH2:51]2)(=[O:52])=[O:53])[cH:54][cH:55]1)#[N:56].[C:57](=[O:58])([O-:59])[O-:60].[C:63](#[N:64])[c:65]1[cH:66][cH:67][c:68]([CH2:69][Br:70])[cH:71][cH:72]1.[ClH:32].[K+:61].[K+:62].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90].[OH:73][C:74]([CH2:75][C:76]([C:77](=[O:78])[OH:79])([CH2:80][C:81](=[O:82])[OH:83])[OH:84])=[O:85]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([C:25](=[O:26])[N:27]2[CH2:28][S:29][CH2:30][CH2:31]2)[CH2:10][CH:11]([N:13]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([C:23]#[N:24])[cH:21][cH:22]2)[CH2:69][c:68]2[cH:67][cH:66][c:65]([C:63]#[N:64])[cH:72][cH:71]2)[CH2:12]1Participants
9
Sources & evidence
- ORD record
- ord-200379014d01497c8ebe660517bcd226
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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