Hydrochloric Acid → HCID 57811339, compound
Reaction equation
[Br:59][c:60]1[n:61](-[c:70]2[cH:71][cH:72][c:73]([CH:80]3[CH2:81][CH2:82]3)[c:74]3[cH:75][cH:76][cH:77][cH:78][c:79]23)[c:62]([S:65][CH2:66][C:67](=[O:68])[OH:69])[n:63][n:64]1.[CH2:30]([N:31]=[C:32]=[N:33][CH2:34][CH2:35][CH2:36][N:37]([CH3:38])[CH3:39])[CH3:40].[Cl:83][CH2:84][Cl:85].[ClH:29].[OH:41][n:42]1[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]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])[O:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][NH2:28])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1.[n:51]1[c:52]([CH3:53])[cH:54][cH:55][cH:56][c:57]1[CH3:58]>>[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])[O:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH2:27][NH:28][C:67]([CH2:66][S:65][c:62]1[n:61](-[c:70]3[cH:71][cH:72][c:73]([CH:80]4[CH2:81][CH2:82]4)[c:74]4[cH:75][cH:76][cH:77][cH:78][c:79]34)[c:60]([Br:59])[n:64][n:63]1)=[O:68])[c:11]1[c:6]-2[cH:7][cH:8][cH:9][cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-b9c3e322ce524ac68a7d63a4318eb345
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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