Chloride → HCID 178460051, compound
Reaction equation
[C:64]([CH2:65][CH3:66])(=[O:67])[OH:68].[CH2:69]1[O:70][CH2:71][CH2:72][CH2:73]1.[CH3:61][OH:62].[Cl-:63].[NH2:1][CH:2]1[CH:3]([OH:60])[CH:4]([OH:59])[CH:5]([n:7]2[c:8]3[n:9][c:10]([Cl:58])[n:11][c:12]([NH:16][CH:17]4[CH2:18][N:19]([c:22]5[n:23][c:24]([NH:43][CH2:44][CH:45]([c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[c:52]6[cH:53][cH:54][cH:55][cH:56][cH:57]6)[c:25]6[n:26][cH:27][n:28]([CH:31]7[CH:32]([OH:42])[CH:33]([OH:41])[CH:34]([NH:36][C:37]([CH2:38][CH3:39])=[O:40])[CH2:35]7)[c:29]6[n:30]5)[CH2:20][CH2:21]4)[c:13]3[n:14][cH:15]2)[CH2:6]1>>[NH:1]([CH:2]1[CH:3]([OH:60])[CH:4]([OH:59])[CH:5]([n:7]2[c:8]3[n:9][c:10]([Cl:58])[n:11][c:12]([NH:16][CH:17]4[CH2:18][N:19]([c:22]5[n:23][c:24]([NH:43][CH2:44][CH:45]([c:46]6[cH:47][cH:48][cH:49][cH:50][cH:51]6)[c:52]6[cH:53][cH:54][cH:55][cH:56][cH:57]6)[c:25]6[n:26][cH:27][n:28]([CH:31]7[CH:32]([OH:42])[CH:33]([OH:41])[CH:34]([NH:36][C:37]([CH2:38][CH3:39])=[O:40])[CH2:35]7)[c:29]6[n:30]5)[CH2:20][CH2:21]4)[c:13]3[n:14][cH:15]2)[CH2:6]1)[C:64]([CH2:65][CH3:66])=[O:67]Participants
6
Sources & evidence
- ORD record
- ord-2474ca2481dc439a9c86e1cc923fb8ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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