Water → HCID 457757, compound

HRID 670722Notes

Reaction equation

HRID 670722 reaction equation
[CH3:1][NH:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][NH:11][CH3:12])[cH:8][cH:9]1)=[O:13].[CH3:34][CH2:35][O:36][CH2:37][CH2:38][OH:39].[NH2:14][c:15]1[n:16][c:17]([CH2:32][CH3:33])[c:18](-[c:22]2[cH:23][c:24]([N+:29](=[O:30])[O-:31])[c:25]([Cl:28])[cH:26][cH:27]2)[c:19]([NH2:21])[n:20]1.[OH2:40]>>[CH3:1][NH:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([CH3:12])[c:25]2[c:24]([N+:29](=[O:30])[O-:31])[cH:23][c:22](-[c:18]3[c:17]([CH2:32][CH3:33])[n:16][c:15]([NH2:14])[n:20][c:19]3[NH2:21])[cH:27][cH:26]2)[cH:8][cH:9]1)=[O:13]

Participants

5

Reactant 4

HCID 962WaterHCID 8076Glycol monoethyl etherHCID 3274042,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidineHCID 7130979HCID 7130979, compound

Product 1

HCID 457757HCID 457757, compound

Sources & evidence

ORD record
ord-358cee2ebd334a039eb6d39794ac50e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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