Acetic Acid → 2-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione

HRID 1574247Notes

Reaction equation

HRID 1574247 reaction equation
[CH3:41][C:42](=[O:43])[OH:44].[NH2:1][c:2]1[c:3]([N+:38](=[O:39])[O-:40])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]2[n:13][cH:14][c:15]([NH:26][C:27](=[O:28])[c:29]3[c:30]([C:31](=[O:32])[OH:33])[cH:34][cH:35][cH:36][cH:37]3)[c:16](-[c:18]3[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:17]2)[n:7]1>>[NH2:1][c:2]1[c:3]([N+:38](=[O:39])[O-:40])[cH:4][cH:5][c:6]([NH:8][CH2:9][CH2:10][NH:11][c:12]2[n:13][cH:14][c:15]([N:26]3[C:27](=[O:28])[c:29]4[c:30]([cH:34][cH:35][cH:36][cH:37]4)[C:31]3=[O:33])[c:16](-[c:18]3[c:19]([Cl:25])[cH:20][c:21]([Cl:24])[cH:22][cH:23]3)[n:17]2)[n:7]1

Participants

3

Reactant 2

HCID 176Acetic AcidHCID 221424542-{N-[2-({2-[(6-amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]carbamoyl}benzoic acid

Product 1

HCID 221428712-[2-({2-[(6-Amino-5-nitro(2-pyridyl))amino]ethyl}amino)-4-(2,4-dichlorophenyl)pyrimidin-5-yl]isoindoline-1,3-dione

Sources & evidence

ORD record
ord-fc0a3419100e4e2294d0864795a01e0c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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