Water → HCID 57590616, compound
Reaction equation
[CH3:40][CH2:41][N:42]=[C:43]=[N:44][CH2:45][CH2:46][CH2:47][N:48]([CH3:49])[CH3:50].[CH3:55][N:56]([c:57]1[cH:58][cH:59][n:60][cH:61][cH:62]1)[CH3:63].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][cH:24][c:25]([NH2:28])[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[F:29][C:30]([CH2:31][NH:32][CH2:33][CH:34]([CH2:35][OH:36])[OH:37])([F:38])[F:39].[NH2:51][C:52](=[S:53])[NH2:54].[OH2:64]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[cH:23][cH:24][c:25]([N:28]=[C:40]4[N:32]([CH2:31][C:30]([F:29])([F:38])[F:39])[CH2:33][CH:34]([CH2:35][OH:36])[O:37]4)[cH:26][c:27]23)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1Participants
7
Sources & evidence
- ORD record
- ord-dc316f3cbe9d4dd685475e4a4d7cb718
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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