Hydrochloric Acid → HCID 178502179, compound
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([c:18]2[n:19][c:20]3[c:21]([nH:22]2)[c:23]2[cH:24][c:25]4[c:26]([cH:27][c:28]2[cH:29][cH:30]3)-[c:31]2[cH:32][cH:33][c:34](-[c:39]3[cH:40][n:41][c:42]([CH:44]5[N:45]([C:49](=[O:50])[O:51][C:52]([CH3:53])([CH3:54])[CH3:55])[CH2:46][CH2:47][CH2:48]5)[nH:43]3)[cH:35][c:36]2[CH2:37][O:38]4)[CH2:14][CH:15]([CH3:17])[CH2:16]1.[CH3:57][O:58][C:59](=[O:60])[NH:61][CH:62]([C:63]([OH:64])=[O:65])[c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[CH3:84][OH:85].[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[CH3:97][OH:98].[CH:72]([N:73]([CH2:74][CH3:75])[CH:76]([CH3:77])[CH3:78])([CH3:79])[CH3:80].[Cl:81][CH2:82][Cl:83].[ClH:56].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96]>>[CH3:1][O:2][C:3](=[O:4])[NH:5][CH:6]([CH:7]([CH3:8])[CH3:9])[C:10](=[O:11])[N:12]1[CH:13]([c:18]2[n:19][c:20]3[c:21]([nH:22]2)[c:23]2[cH:24][c:25]4[c:26]([cH:27][c:28]2[cH:29][cH:30]3)-[c:31]2[cH:32][cH:33][c:34](-[c:39]3[cH:40][n:41][c:42]([CH:44]5[N:45]([C:49](=[O:50])[CH:62]([NH:61][C:59]([O:58][CH3:57])=[O:60])[c:66]6[cH:67][cH:68][cH:69][cH:70][cH:71]6)[CH2:46][CH2:47][CH2:48]5)[nH:43]3)[cH:35][c:36]2[CH2:37][O:38]4)[CH2:14][CH:15]([CH3:17])[CH2:16]1Participants
9
Sources & evidence
- ORD record
- ord-224840c257d44ad5a12f3a73bf654109
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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