HRID2124926

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID62325

2-Methylpropanoyl chloride

C4H7ClO

结构：CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)c(-c2ccc(N)cc2)n1

HCID68995250

未命名化合物

PRODUCTS

生成物

结构：CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)c(-c2ccc(NC(=O)C(C)C)cc2)n1

HCID58980014

N-[4-(1-ethyl-4-{2-[4-(1-pyrrolidinylmethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-yl}-1H-pyrazol-3-yl)phenyl]-2-methylpropanamide

C33H36N6O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-93ede710c82343bfa8df09ae7e9cc236
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

[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:29]2[cH:30][cH:31][c:32]([NH2:33])[cH:34][cH:35]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]4[CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:21][cH:22]2)[cH:16]3)[cH:7]1.[CH3:36][CH:37]([C:38](=[O:39])[Cl:40])[CH3:41].[CH3:45][N:46]([c:47]1[cH:48][cH:49][n:50][cH:51][cH:52]1)[CH3:53].[Cl:42][CH2:43][Cl:44]>>[CH2:1]([CH3:2])[n:3]1[n:4][c:5](-[c:29]2[cH:30][cH:31][c:32]([NH:33][C:38]([CH:37]([CH3:36])[CH3:41])=[O:39])[cH:34][cH:35]2)[c:6](-[c:8]2[c:9]3[c:10]([n:11][cH:12][cH:13]2)[nH:14][c:15](-[c:17]2[cH:18][cH:19][c:20]([CH2:23][N:24]4[CH2:25][CH2:26][CH2:27][CH2:28]4)[cH:21][cH:22]2)[cH:16]3)[cH:7]1