Hydrochloric Acid → HCID 22347040, compound
Reaction equation
[CH3:46][N:47]([CH3:48])[CH2:49][CH2:50][CH2:51][N:52]=[C:53]=[N:54][CH2:55][CH3:56].[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[Cl:76][CH2:77][Cl:78].[ClH:45].[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[OH:33])[CH2:28][CH2:29]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1.[NH2:39][c:40]1[nH:41][cH:42][cH:43][n:44]1.[OH:66][n:67]1[c:68]2[n:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1.[S:34]([OH:35])([OH:36])(=[O:37])=[O:38]>>[NH2:1][c:2]1[c:3]2[c:4]([n:5][cH:6][n:7]1)[n:8]([CH:24]1[CH2:25][CH2:26][N:27]([CH2:30][C:31](=[O:32])[NH:39][c:40]3[nH:41][cH:42][cH:43][n:44]3)[CH2:28][CH2:29]1)[n:9][c:10]2-[c:11]1[cH:12][cH:13][c:14]([O:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15][cH:16]1Participants
9
Sources & evidence
- ORD record
- ord-4daecd601d66443d96d45814da8dba2e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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