Hydrochloric Acid → HCID 23652670, compound
Reaction equation
[CH:1]1([N:2]2[CH2:3][CH2:4][N:5]([c:6]3[n:7][c:8]([NH2:9])[cH:10][cH:11][n:12]3)[CH2:13][CH2:14]2)[CH2:15][CH2:16][CH2:17][CH2:18]1.[Cl:19][C:20]([O:21][c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)=[O:28].[Cl:71][CH2:72][Cl:73].[ClH:70].[F:62][C:63]1([F:69])[CH2:64][CH2:65][NH:66][CH2:67][CH2:68]1.[c:35]1([O:41][C:42](=[O:36])[NH:43][c:44]2[n:45][c:46]([N:50]3[CH2:51][CH2:52][N:53]([CH:56]4[CH2:57][CH2:58][CH2:59][CH2:60]4)[CH2:54][CH2:55]3)[n:47][cH:48][cH:49]2)[cH:37][cH:38][cH:39][cH:40][cH:61]1.[cH:29]1[cH:30][cH:31][n:32][cH:33][cH:34]1>>[O:41]=[C:42]([NH:43][c:44]1[n:45][c:46]([N:50]2[CH2:51][CH2:52][N:53]([CH:56]3[CH2:57][CH2:58][CH2:59][CH2:60]3)[CH2:54][CH2:55]2)[n:47][cH:48][cH:49]1)[N:66]1[CH2:65][CH2:64][C:63]([F:62])([F:69])[CH2:68][CH2:67]1Participants
8
Sources & evidence
- ORD record
- ord-87763e73bcf94d7992744c48a8da4837
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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