Bromide ion → HCID 178500896, compound
Reaction equation
[Br-:57].[CH2:75]([Cl:76])[Cl:77].[CH3:23][O:24][C:25]([CH:26]([NH:27][C:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH2:47][OH:48])=[O:49].[CH3:58][CH2:59][CH2:60][CH2:61][N+:62]([CH2:63][CH2:64][CH2:65][CH3:66])([CH2:67][CH2:68][CH2:69][CH3:70])[CH2:71][CH2:72][CH2:73][CH3:74].[CH3:78][C:79]#[N:80].[Na+:51].[OH-:50].[P:52](=[O:53])([OH:54])([OH:55])[OH:56].[c:1]1(-[c:7]2[o:8][cH:9][c:10]([CH2:12][CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][Br:22])[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[o:8][cH:9][c:10]([CH2:12][CH2:13][O:14][c:15]3[cH:16][cH:17][c:18]([CH2:21][O:48][CH2:47][CH:26]([C:25]([O:24][CH3:23])=[O:49])[NH:27][C:28]([c:29]4[cH:30][cH:31][cH:32][cH:33][cH:34]4)([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)[c:41]4[cH:42][cH:43][cH:44][cH:45][cH:46]4)[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
10
Sources & evidence
- ORD record
- ord-99378ae69e4c48849c1022a5cc93436c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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