Water → HCID 91097162, compound

HRID 1542226Notes

Reaction equation

HRID 1542226 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[NH2:5].[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][c:11]1[c:12](-[c:25]2[cH:26][c:27]([N:31]([C:32]([O:34][c:33]3[cH:35][cH:36][c:37]([N+:38]([O-:39])=[O:40])[cH:41][cH:42]3)=[O:43])[CH3:44])[cH:28][cH:29][cH:30]2)[cH:13][cH:14][c:15]([CH:17]=[C:18]([C:19](=[O:20])[O:21][CH3:22])[O:23][CH3:24])[cH:16]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[OH2:45]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][C:32]([N:31]([c:27]1[cH:26][c:25](-[c:12]2[c:11]([O:10][CH2:6][CH2:7][CH2:8][CH3:9])[cH:16][c:15]([CH:17]=[C:18]([C:19](=[O:20])[O:21][CH3:22])[O:23][CH3:24])[cH:14][cH:13]2)[cH:30][cH:29][cH:28]1)[CH3:44])=[O:34]

Participants

6

Sources & evidence

ORD record
ord-c6c8ebb437cf4a9aaa9ef243c2d8461d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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