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

반응식

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

참가 물질

반응물 2

HCID 6367Acetyl chloride

HCID 668659584-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid azetidin-3-ylamide

생성물 1

HCID 442074384-(5-Cyclopropylmethoxy-benzo[1,3]dioxol-4-yl)-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid (1-acetyl-azetidin-3-yl)-amide

출처 및 근거

ORD 기록: ord-d833f3122f1f485798fe6dc31495c3c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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