HCID 57708878, compound → HCID 57708877, compound
Reaction equation
[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[n:56]1[n:57][c:58]([O:61][CH2:62][c:63]2[cH:64][c:65](-[c:69]3[cH:70][c:71]([C:75]#[N:76])[cH:72][cH:73][cH:74]3)[cH:66][cH:67][cH:68]2)[n:59][cH:60]1.[c:1]1([C:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[n:15]2[cH:16][n:17][c:18]([S:19][CH2:20][CH2:21][O:22][c:23]3[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29][n:30]3)[n:31]2)[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[C:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)([c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)([c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[n:56]1[n:57][c:58]([O:61][CH2:62][c:63]2[cH:64][c:65](-[c:69]3[cH:70][c:71]([CH2:75][NH2:76])[cH:72][cH:73][cH:74]3)[cH:66][cH:67][cH:68]2)[n:59][cH:60]1Participants
3
Sources & evidence
- ORD record
- ord-ec11c7b32d734b70a99c54a36a3cc26b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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