HRID170078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69828

Cyclopropanamine

C3H7N

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)O)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1

HCID58981119

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2[nH]cc(Cn3nc4c(c3-c3cc(C(=O)NC5CC5)cn3C)c(=O)n(C)c(=O)n4CC(C)C)c2c1

HCID58981126

N-cyclopropyl-5-{7-isobutyl-5-methyl-2-[(5-methyl-1H-indol-3-yl)methyl]4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl}-1-methyl-1H-pyrrole-3-carboxamide

C29H33N7O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6b6f2d10a4f4ed0a1f42e00653c70e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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