HCID 17758566, compound → HCID 68835724, compound
Reaction equation
[Br:1][c:2]1[c:3]([O:35][CH:36]=[C:37]=[O:38])[c:4]([C:32](=[O:33])[OH:34])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][c:24]3[cH:25][c:26]([Cl:31])[cH:27][c:28]([Cl:30])[cH:29]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1.[CH3:39][O:40][C:41]([c:42]1[s:43][c:44](-[c:45]2[cH:46][cH:47][cH:48][c:49]([NH:50][CH:51]3[CH2:52][CH2:53][N:54]([S:55]([CH2:56][c:57]4[cH:58][cH:59][c:60]([Cl:61])[cH:62][cH:63]4)(=[O:64])=[O:65])[CH2:66][CH2:67]3)[cH:68]2)[c:69]([Br:70])[c:71]1[O:72][CH2:73][C:74]([O:75][C:76]([CH3:77])([CH3:78])[CH3:79])=[O:80])=[O:81]>>[Br:1][c:2]1[c:3]([O:35][CH2:36][C:37](=[O:38])[OH:40])[c:4]([C:32](=[O:33])[OH:34])[s:5][c:6]1-[c:7]1[cH:8][c:9]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([S:20](=[O:21])(=[O:22])[CH2:23][c:24]3[cH:25][c:26]([Cl:31])[cH:27][c:28]([Cl:30])[cH:29]3)[CH2:18][CH2:19]2)[cH:10][cH:11][cH:12]1Participants
3
Sources & evidence
- ORD record
- ord-c708e812a11444c4a1cc15780657602a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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