Chloride → HCID 178471478, compound
Reaction equation
[CH2:33]([CH3:34])[O:35][CH:36]([CH:37]([CH3:38])[NH:39][CH2:40][c:41]1[cH:42][cH:43][cH:44][c:45]2[cH:46][cH:47][cH:48][n:49][c:50]12)[O:51][CH2:52][CH3:53].[CH3:55][O:56][c:57]1[n:58][c:59]([O:60][CH3:61])[n:62][c:63]([N+:64]2([CH3:65])[CH2:66][CH2:67][O:68][CH2:69][CH2:70]2)[n:71]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[Cl-:54].[Cl:72][CH2:73][Cl:74].[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[OH:22])[CH2:23][c:24]1[c:25]([CH3:32])[cH:26][c:27]([OH:31])[cH:28][c:29]1[CH3:30])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1>>[cH:1]1[cH:2][cH:3][cH:4][c:5]2[c:13]1[CH:12]([CH2:14][O:15][C:16](=[O:17])[NH:18][CH:19]([C:20](=[O:21])[N:39]([CH:37]([CH:36]([O:35][CH2:33][CH3:34])[O:51][CH2:52][CH3:53])[CH3:38])[CH2:40][c:41]1[cH:42][cH:43][cH:44][c:45]3[cH:46][cH:47][cH:48][n:49][c:50]13)[CH2:23][c:24]1[c:25]([CH3:32])[cH:26][c:27]([OH:31])[cH:28][c:29]1[CH3:30])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1Participants
7
Sources & evidence
- ORD record
- ord-f1dd1c51cd4444418fb9f86f77cbb504
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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