Water → HCID 69331987, compound
Reaction equation
[Br:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([NH:26][CH2:27][c:28]3[cH:29][cH:30][c:31]([O:32][CH3:33])[cH:34][cH:35]3)[c:11]([C:24]#[N:25])[n:12][c:13]2-[c:14]2[n:15][n:16]([CH:21]([CH3:22])[CH3:23])[c:17](=[O:20])[cH:18][cH:19]2)[cH:4][cH:5][cH:6][cH:7]1.[Br:36][c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1-[c:43]1[n:44][c:45]([C:46]#[N:47])[c:48]([NH:49][CH2:50][c:51]2[cH:52][cH:53][c:54]([O:55][CH3:56])[cH:57][cH:58]2)[n:59][c:60]1-[c:61]1[cH:62][cH:63][c:64](=[O:65])[n:66]([CH:67]([CH3:68])[CH3:69])[n:70]1.[Cl:71][CH:72]([Cl:73])[Cl:74].[OH2:75]>>[Br:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([NH2:26])[c:11]([C:24]#[N:25])[n:12][c:13]2-[c:14]2[n:15][n:16]([CH:21]([CH3:22])[CH3:23])[c:17](=[O:20])[cH:18][cH:19]2)[cH:4][cH:5][cH:6][cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-162d0ace3455412a99c50110152ac613
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
- DOI