Acetic Acid → 5-(4-Cyclopropylmethoxy-1-ethyl-3-morpholin-4-ylmethyl-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine

HRID 2147468Notes

Reaction equation

HRID 2147468 reaction equation
[CH2:1]=[O:2].[CH2:3]1[CH2:4][O:5][CH2:6][CH2:7][NH:8]1.[CH3:34][C:35](=[O:36])[OH:37].[CH:9]1([CH2:12][O:13][c:14]2[c:15]3[cH:16][cH:17][n:18]([CH2:32][CH3:33])[c:19]3[cH:20][c:21]([CH2:23][c:24]3[c:25]([NH2:31])[n:26][c:27]([NH2:30])[n:28][cH:29]3)[cH:22]2)[CH2:10][CH2:11]1.[OH2:38]>>[CH2:1]([N:8]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1)[c:16]1[c:15]2[c:14]([O:13][CH2:12][CH:9]3[CH2:10][CH2:11]3)[cH:22][c:21]([CH2:23][c:24]3[c:25]([NH2:31])[n:26][c:27]([NH2:30])[n:28][cH:29]3)[cH:20][c:19]2[n:18]([CH2:32][CH3:33])[cH:17]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 712FormaldehydeHCID 962WaterHCID 8083MorpholineHCID 69922707HCID 69922707, compound

Product 1

HCID 699233515-(4-Cyclopropylmethoxy-1-ethyl-3-morpholin-4-ylmethyl-1H-indol-6-ylmethyl)-pyrimidine-2,4-diamine

Sources & evidence

ORD record
ord-7a7b52153c354001ad4b2b4f3287eab1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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