Water → HCID 178457621, compound

HRID 1146314Notes

Reaction equation

HRID 1146314 reaction equation
[CH2:1]([CH2:2][CH:3]=[CH2:4])[N:5]1[C:6](=[O:40])[C:7]([CH3:38])([CH3:39])[O:8][c:9]2[c:10]1[cH:11][c:12]([C:19](=[O:20])[N:21]([CH:22]1[CH2:23][N:24]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:25][CH2:26][CH2:27]1)[CH:35]([CH3:36])[CH3:37])[c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2.[Cl:41][c:42]1[cH:43][cH:44][cH:45][c:46]([C:47]([O:48][OH:50])=[O:49])[cH:51]1.[Cl:53][CH2:54][Cl:55].[OH2:52]>>[CH2:1]([CH2:2][CH:3]1[CH2:4][O:49]1)[N:5]1[C:6](=[O:40])[C:7]([CH3:38])([CH3:39])[O:8][c:9]2[c:10]1[cH:11][c:12]([C:19](=[O:20])[N:21]([CH:22]1[CH2:23][N:24]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[CH2:25][CH2:26][CH2:27]1)[CH:35]([CH3:36])[CH3:37])[c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2

Participants

5

Sources & evidence

ORD record
ord-4967fbee31db408296777fcfdec270d6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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