Hydrochloric Acid → HCID 19966206, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[OH:21])[cH:9][cH:10]1.[CH2:80]([Cl:81])[Cl:82].[CH3:71][N:72]([c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1)[CH3:79].[CH:40]1([N:41]=[C:42]=[N:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48][CH2:49]2)[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[ClH:61].[cH:55]1[cH:56][cH:57][n:58][cH:59][cH:60]1.[n:62]1([CH2:67][C:68](=[O:69])[OH:70])[cH:63][n:64][cH:65][cH:66]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:22][C:23]([CH2:24][CH:25]2[c:26]3[cH:27][cH:28][cH:29][cH:30][c:31]3[O:32][c:33]3[cH:34][cH:35][cH:36][cH:37][c:38]32)=[O:39])[cH:7][c:8]([CH2:11][CH2:12][CH:13]([CH2:14][CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[O:21][C:68]([CH2:67][n:62]2[cH:63][n:64][cH:65][cH:66]2)=[O:69])[cH:9][cH:10]1Participants
8
Sources & evidence
- ORD record
- ord-242c842dae584525abc456d33bfed988
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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