Hydrochloric Acid → HCID 67177702, compound
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][cH:12][c:13]([NH:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([N:37]4[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([CH2:32][C:33]([F:34])([F:35])[F:36])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[n:14]1.[CH2:45]([O:46][c:47]1[n:48][c:49]([NH:50][c:51]2[cH:52][cH:53][c:54](-[c:55]3[n:56][c:57]([N:58]4[CH2:59][CH2:60][O:61][CH2:62][CH:63]4[CH3:64])[c:65]4[c:70]([n:71]3)[CH2:69][NH:68][CH2:67][CH2:66]4)[cH:72][cH:73]2)[cH:74][cH:75][cH:76]1)[c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH3:106][C:107]#[N:108].[CH3:109][CH2:110][O:111][C:112](=[O:113])[CH3:114].[CH:83]([N:84]([CH2:85][CH3:86])[CH:87]([CH3:88])[CH3:89])([CH3:90])[CH3:91].[ClH:44].[F:100][CH2:101][C:102]([F:103])([F:104])[OH:105].[S:92]([OH:93])([C:94]([F:95])([F:96])[F:97])(=[O:98])=[O:99]>>[O:8]=[c:9]1[cH:10][cH:11][cH:12][c:13]([NH:15][c:16]2[cH:17][cH:18][c:19](-[c:22]3[n:23][c:24]([N:37]4[CH:38]([CH3:43])[CH2:39][O:40][CH2:41][CH2:42]4)[c:25]4[c:26]([n:27]3)[CH2:28][N:29]([CH2:32][C:33]([F:34])([F:35])[F:36])[CH2:30][CH2:31]4)[cH:20][cH:21]2)[nH:14]1Participants
9
Sources & evidence
- ORD record
- ord-86a6c446778947ebb23ee8eef1a13283
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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