Water → HCID 59507051, compound

HRID 2339549Notes

Reaction equation

HRID 2339549 reaction equation
[CH3:15][N:16]([CH3:17])[CH:18]=[O:19].[Cl:9][C:10]([C:11]([Cl:12])=[O:13])=[O:14].[NH2:20][c:21]1[s:22][c:23]2[n:24][c:25]([O:30][c:31]3[cH:32][c:33]([NH:38][C:39]([c:40]4[cH:41][c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]4)=[O:50])[cH:34][cH:35][c:36]3[CH3:37])[cH:26][cH:27][c:28]2[n:29]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH2:62].[cH:56]1[cH:57][cH:58][n:59][cH:60][cH:61]1.[o:1]1[cH:2][n:3][c:4]([C:6](=[O:7])[OH:8])[cH:5]1>>[o:1]1[cH:2][n:3][c:4]([C:6](=[O:8])[NH:20][c:21]2[s:22][c:23]3[n:24][c:25]([O:30][c:31]4[cH:32][c:33]([NH:38][C:39]([c:40]5[cH:41][c:42]([C:46]([F:47])([F:48])[F:49])[cH:43][cH:44][cH:45]5)=[O:50])[cH:34][cH:35][c:36]4[CH3:37])[cH:26][cH:27][c:28]3[n:29]2)[cH:5]1

Participants

8

Sources & evidence

ORD record
ord-e908d51964314c2ca2442a4fd0408d46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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