Acetyl chloride → 4-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (1-acetyl-piperidin-4-ylmethyl)-amide

HRID 162593Notes

Reaction equation

HRID 162593 reaction equation
[CH3:34][C:35]([Cl:36])=[O:37].[NH:1]1[CH2:2][CH2:3][CH:4]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][nH:13][c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3-[c:20]2[c:21]([O:29][CH2:30][CH:31]3[CH2:32][CH2:33]3)[cH:22][cH:23][c:24]3[c:28]2[O:27][CH2:26][O:25]3)[CH2:5][CH2:6]1>>[N:1]1([C:35]([CH3:34])=[O:37])[CH2:2][CH2:3][CH:4]([CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][nH:13][c:14]3[c:15]2[n:16][cH:17][n:18][c:19]3-[c:20]2[c:21]([O:29][CH2:30][CH:31]3[CH2:32][CH2:33]3)[cH:22][cH:23][c:24]3[c:28]2[O:27][CH2:26][O:25]3)[CH2:5][CH2:6]1

Participants

3

Reactant 2

HCID 6367Acetyl chlorideHCID 668672254-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (piperidin-4-ylmethyl)-amide

Product 1

HCID 442067224-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (1-acetyl-piperidin-4-ylmethyl)-amide

Sources & evidence

ORD record
ord-ba901249b24a45b5b88eb862cb7675c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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