Hydrochloric Acid → HCID 178494471, compound
Reaction equation
[CH3:100][OH:101].[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:52]([O:53][C:54]([CH3:55])([CH3:56])[CH3:57])=[O:58])[CH2:46][CH:47]([CH2:49][O:50][CH3:51])[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.[CH3:60][O:61][C:62](=[O:63])[NH:64][CH:65]([C:66](=[O:67])[OH:68])[c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:87][OH:88].[CH3:89][CH2:90][O:91][C:92]([CH3:93])=[O:94].[CH:75]([N:76]([CH2:77][CH3:78])[CH:79]([CH3:80])[CH3:81])([CH3:82])[CH3:83].[Cl:84][CH2:85][Cl:86].[ClH:59].[O:95]=[CH:96][N:97]([CH3:98])[CH3:99]>>[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:66]([CH:65]([NH:64][C:62]([O:61][CH3:60])=[O:63])[c:69]6[cH:70][cH:71][cH:72][cH:73][cH:74]6)=[O:68])[CH2:46][CH:47]([CH2:49][O:50][CH3:51])[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-9c52491cb8224c48afc40bcc78133cdd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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