Water → HCID 59692552, compound

HRID 2347538Notes

Reaction equation

HRID 2347538 reaction equation
[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[C:20]1([NH:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])[C:21]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([CH2:29][N:30]=[N+:31]=[N-:32])[CH2:22]1.[C:41]([O:42][C:43]([C:44]1([NH:45][C:46]([O:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:53][C:54]1([CH2:55][OH:56])[c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)=[O:63])([CH3:64])([CH3:65])[CH3:66].[CH3:68][C:69]#[N:70].[OH2:1].[OH2:67].[c:2]1([CH3:3])[cH:4][cH:5][c:6]([S:7]([OH:8])(=[O:9])=[O:10])[cH:11][cH:12]1>>[C:13]([CH3:14])([CH3:15])([CH3:16])[O:17][C:18](=[O:19])[C:20]1([NH2:33])[C:21]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([CH2:29][N:30]=[N+:31]=[N-:32])[CH2:22]1

Participants

6

Reactant 5

HCID 962Water2×HCID 6101p-Toluenesulfonic acidHCID 6342AcetonitrileHCID 59692508HCID 59692508, compoundHCID 59692521HCID 59692521, compound

Product 1

HCID 59692552HCID 59692552, compound

Sources & evidence

ORD record
ord-2441710f4fd1416ab2f83d19007096f9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…