4-Hydroxybenzoic Acid → HCID 69300084, compound
Reaction equation
[CH2:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([CH2:19][n:20]2[n:21][cH:22][c:23]3[c:24]2[n:25][cH:26][n:27][c:28]3[N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:35][cH:36][cH:37]1.[CH2:49]([N:50]=[C:51]=[N:52][CH2:53][CH2:54][CH2:55][N:56]([CH3:57])[CH3:58])[CH3:59].[CH2:76]([Cl:77])[Cl:78].[CH3:69][CH2:70][N:71]([CH2:72][CH3:73])[CH2:74][CH3:75].[CH:65]([Cl:66])([Cl:67])[Cl:68].[ClH:11].[ClH:12].[ClH:48].[Na+:60].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1.[OH:38][n:39]1[c:40]2[cH:41][cH:42][cH:43][cH:44][c:45]2[n:46][n:47]1.[OH:61][C:62](=[O:63])[O-:64]>>[C:2](=[O:3])([c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1)[N:32]1[CH2:31][CH2:30][N:29]([c:28]2[c:23]3[cH:22][n:21][n:20]([CH2:19][c:18]4[cH:17][c:16]([O:15][CH2:13][CH3:14])[cH:37][cH:36][cH:35]4)[c:24]3[n:25][cH:26][n:27]2)[CH2:34][CH2:33]1Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-7aac4713d05f484a974280adcf7e4b71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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