HRID2158231

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID15179797

5-(Methylsulfanyl)pyridin-2-amine

C6H8N2S

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOCC(Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)OC

HCID57504625

Methyl 2-[1-(3-chloro-2-pyridinyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-3-ethoxypropanoate

C16H16ClN5O4

PRODUCTS

生成物

结构：CCOCC(Oc1ncnc2c1cnn2-c1ncccc1Cl)C(=O)Nc1ccc(SC)cn1

HCID76550468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-641de465d74f4608a225856ddbf2fa81
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:11][S:12][c:13]1[cH:14][cH:15][c:16]([NH2:19])[n:17][cH:18]1.[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[CH3:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[Cl:20][c:21]1[c:22](-[n:27]2[n:28][cH:29][c:30]3[c:31]2[n:32][cH:33][n:34][c:35]3[O:36][CH:37]([C:38](=[O:39])[O:40][CH3:41])[CH2:42][O:43][CH2:44][CH3:45])[n:23][cH:24][cH:25][cH:26]1>>[CH3:11][S:12][c:13]1[cH:14][cH:15][c:16]([NH:19][C:38]([CH:37]([O:36][c:35]2[c:30]3[cH:29][n:28][n:27](-[c:22]4[c:21]([Cl:20])[cH:26][cH:25][cH:24][n:23]4)[c:31]3[n:32][cH:33][n:34]2)[CH2:42][O:43][CH2:44][CH3:45])=[O:39])[n:17][cH:18]1