Ethanol → 3-(Isoquinolin-5-ylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione

HRID 160774

Reaction equation

HRID 160774 reaction equation
[CH2:1]([O:2][c:4]1[c:5](=[O:12])[c:6](=[O:11])[c:7]1[O:8][CH2:9][CH3:10])[CH3:3].[CH3:24][CH2:25][OH:26].[NH2:13][c:14]1[c:15]2[cH:16][cH:17][n:18][cH:19][c:20]2[cH:21][cH:22][cH:23]1>>[c:4]1([NH:13][c:14]2[c:15]3[cH:16][cH:17][n:18][cH:19][c:20]3[cH:21][cH:22][cH:23]2)[c:5](=[O:12])[c:6](=[O:11])[c:7]1[O:8][CH2:9][CH3:10]

Participants

4

Reactant 3

HCID 702EthanolHCID 707665-AminoisoquinolineHCID 123228Diethyl squarate

Product 1

HCID 108018323-(Isoquinolin-5-ylamino)-4-ethoxy-cyclobut-3-ene-1,2-dione

Sources & evidence

ORD record
ord-33542b378e8342458639cdef18a50cd2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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