Hydrochloric Acid → HCID 57811389, compound
Reaction equation
[Br:45][c:46]1[n:47](-[c:56]2[cH:57][cH:58][c:59]([CH:66]3[CH2:67][CH2:68]3)[c:60]3[cH:61][cH:62][cH:63][cH:64][c:65]23)[c:48]([S:51][CH2:52][C:53](=[O:54])[OH:55])[n:49][n:50]1.[CH2:16]([N:17]=[C:18]=[N:19][CH2:20][CH2:21][CH2:22][N:23]([CH3:24])[CH3:25])[CH3:26].[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[O:14].[Cl:69][CH2:70][Cl:71].[ClH:15].[ClH:1].[OH:27][n:28]1[c:29]2[n:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1.[n:37]1[c:38]([CH3:39])[cH:40][cH:41][cH:42][c:43]1[CH3:44]>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:53]([CH2:52][S:51][c:48]1[n:47](-[c:56]2[cH:57][cH:58][c:59]([CH:66]3[CH2:67][CH2:68]3)[c:60]3[cH:61][cH:62][cH:63][cH:64][c:65]23)[c:46]([Br:45])[n:50][n:49]1)=[O:54])[CH2:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)=[O:14]Participants
8
Sources & evidence
- ORD record
- ord-dfc767cc7ba0416096dec127292361f8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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