Water → HCID 12784073, compound

HRID 2136945Notes

Reaction equation

HRID 2136945 reaction equation
[CH3:19][CH2:20][N:21]([CH2:22][CH3:23])[CH2:24][CH3:25].[CH3:37][CH2:38][CH2:39][NH2:40].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH:47]([Cl:48])([Cl:49])[Cl:50].[O:1]=[c:2]1[nH:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12].[OH2:46].[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([Cl:32])(=[O:33])=[O:34])[cH:35][cH:36]1>>[c:2]1([NH:40][CH2:39][CH2:38][CH3:37])[n:3][c:4](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:5][cH:6][c:7]1[C:8](=[O:9])[O:10][CH2:11][CH3:12]

Participants

8

Sources & evidence

ORD record
ord-f05955b3ed2c484fa9dce0ecd1f2e0b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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