Ammonia → HCID 13747410, compound
Reaction equation
[C:52]([c:53]1[nH:54][cH:55][cH:56][n:57]1)([c:58]1[nH:59][cH:60][cH:61][n:62]1)=[O:63].[CH2:13]([CH3:14])[O:15][c:16]1[c:17]([CH2:42][CH2:43][C:44](=[O:45])[NH2:46])[cH:18][cH:19][c:20]([CH2:22][C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][CH3:29])[c:30]2[c:31]([N:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[cH:32][cH:33][cH:34][cH:35]2)[cH:21]1.[CH3:47][CH2:48][C:49](=[O:50])[OH:51].[Cl-:1].[NH3:64].[O:65]1[CH2:66][CH2:67][CH2:68][CH2:69]1.[OH2:70].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1.[cH:71]1[cH:72][cH:73][n:74][cH:75][cH:76]1>>[CH2:13]([CH3:14])[O:15][c:16]1[c:17]([CH2:42][CH2:43][C:44]#[N:46])[cH:18][cH:19][c:20]([CH2:22][C:23](=[O:24])[NH:25][CH:26]([CH2:27][CH2:28][CH3:29])[c:30]2[c:31]([N:36]3[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41]3)[cH:32][cH:33][cH:34][cH:35]2)[cH:21]1Participants
10
Sources & evidence
- ORD record
- ord-6683c49a56594df086bce76d9f153566
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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