Water → HCID 44229842, compound
Reaction equation
[CH2:31]1[CH2:32][CH2:33][C:34]2=[N:39][CH2:38][CH2:37][CH2:36][N:35]2[CH2:40][CH2:41]1.[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[I:42][CH2:43][CH2:44][CH2:45][OH:46].[NH2:1][c:2]1[n:3][c:4]([S:17][CH2:18][c:19]2[n:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[s:22][cH:23]2)[c:5]([C:15]#[N:16])[c:6](-[c:10]2[n:11][nH:12][cH:13][cH:14]2)[c:7]1[C:8]#[N:9].[O:48]=[CH:49][N:50]([CH3:51])[CH3:52].[OH2:47]>>[NH2:1][c:2]1[n:3][c:4]([S:17][CH2:18][c:19]2[n:20][c:21](-[c:24]3[cH:25][cH:26][c:27]([Cl:30])[cH:28][cH:29]3)[s:22][cH:23]2)[c:5]([C:15]#[N:16])[c:6](-[c:10]2[n:11][n:12]([CH2:43][CH2:44][CH2:45][OH:46])[cH:13][cH:14]2)[c:7]1[C:8]#[N:9]Participants
7
Sources & evidence
- ORD record
- ord-b2b40329e8e94e3a8ec6a74be48eb2db
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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