Hydrochloric Acid → HCID 178445145, compound
Reaction equation
[C:55]([CH3:56])([CH3:57])([CH3:58])[O:59][C:60](=[O:61])[N:62]1[C:63]([CH3:74])([CH3:75])[O:64][CH2:65][CH:66]1[CH2:67][n:68]1[cH:69][cH:70][c:71]([NH2:72])[n:73]1.[CH3:34][N:35]([CH3:36])[CH2:37][CH2:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH3:44].[Cl:76][CH2:77][Cl:78].[ClH:33].[OH:1][C:2]([CH3:3])([CH3:31])[CH2:32][n:4]1[n:5][c:6]([NH:9][C:10]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[N:16]2[C:17](=[O:29])[CH:18]=[C:19]([O:21][c:22]3[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]3)[CH2:20]2)=[O:30])[cH:7][cH:8]1.[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[n:4]1([CH2:67][CH:66]2[N:62]([C:60]([O:59][C:55]([CH3:56])([CH3:57])[CH3:58])=[O:61])[C:63]([CH3:74])([CH3:75])[O:64][CH2:65]2)[n:5][c:6]([NH:9][C:10]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[N:16]2[C:17](=[O:29])[CH:18]=[C:19]([O:21][c:22]3[c:23]([Cl:28])[cH:24][cH:25][cH:26][cH:27]3)[CH2:20]2)=[O:30])[cH:7][cH:8]1Participants
7
Sources & evidence
- ORD record
- ord-dccaaaacf8bc48a9ae3265bdb174a313
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…