Hydrochloric Acid → HCID 68814972, compound
Reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22](-[c:25]2[cH:26][c:27]3[c:28]([N:35]4[CH2:36][CH2:37][N:38]([c:41]5[cH:42][c:43]([C:44](=[O:45])[OH:46])[cH:47][cH:48][cH:49]5)[CH2:39][CH2:40]4)[n:29][cH:30][n:31][c:32]3[cH:33][cH:34]2)[cH:23][cH:24]1.[CH2:69]([N:70]=[C:71]=[N:72][CH2:73][CH2:74][CH2:75][N:76]([CH3:77])[CH3:78])[CH3:79].[Cl:80][CH2:81][Cl:82].[ClH:68].[NH2:50][c:51]1[cH:52][cH:53][c:54]([F:55])[cH:56][cH:57]1.[OH:58][n:59]1[c:60]2[cH:61][cH:62][cH:63][cH:64][c:65]2[n:66][n:67]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[n:20]1[n:21][c:22](-[c:25]2[cH:26][c:27]3[c:28]([N:35]4[CH2:36][CH2:37][N:38]([c:41]5[cH:42][c:43]([C:44](=[O:45])[NH:50][c:51]6[cH:52][cH:53][c:54]([F:55])[cH:56][cH:57]6)[cH:47][cH:48][cH:49]5)[CH2:39][CH2:40]4)[n:29][cH:30][n:31][c:32]3[cH:33][cH:34]2)[cH:23][cH:24]1Participants
7
Sources & evidence
- ORD record
- ord-b6523e747c064e23b35a40226c8a4332
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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