Acetic Acid → HCID 178418996, compound

HRID 2139523Notes

Reaction equation

HRID 2139523 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:11][c:12]2[n:13][c:14]3[cH:15][c:16]([N+:29]([O-:30])=[O:31])[cH:17][cH:18][c:19]3[c:20]([NH:22][c:23]3[nH:24][n:25][c:26]([CH3:28])[cH:27]3)[n:21]2)[cH:9][cH:10]1.[C:36]([OH:37])(=[O:38])[CH3:39].[CH3:32][CH2:33][OH:34].[Fe:40].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[cH:6][cH:7][c:8]([S:11][c:12]2[n:13][c:14]3[cH:15][c:16]([NH2:29])[cH:17][cH:18][c:19]3[c:20]([NH:22][c:23]3[nH:24][n:25][c:26]([CH3:28])[cH:27]3)[n:21]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 702EthanolHCID 962WaterHCID 23925IronHCID 178418792[2-(4-acetamido-phenylsulfanyl)-7-nitroquinazolin-4-yl] (5-methyl-2H-pyrazol-3-yl)-amine

Product 1

HCID 178418996HCID 178418996, compound

Sources & evidence

ORD record
ord-c6ac872dca374f07af77c2197cafc51c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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