HRID117344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

HCID66995

Propane, 1,1,1-triethoxy-

C9H20O3

HCID123512

1,1,1-Trimethoxybutane

C7H16O3

HCID10423967

未命名化合物

HCID21075795

未命名化合物

PRODUCTS

生成物

HCID11673425

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcd30ca5e72842faad5a52fbb17bd16d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([C:2]([OH:3])=[O:4])([CH3:5])([CH3:6])[CH3:7].[C:42]([O:43][CH2:44][CH3:45])([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])[CH2:52][CH3:53].[C:54]([O:55][CH3:56])([O:57][CH3:58])([O:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH3:64][C:65]#[N:66].[CH:21]([CH3:22])([CH3:23])[NH:24][n:25]1[c:26]([CH2:39][CH2:40][CH3:41])[n:27][c:28]2[c:29]([NH2:38])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[c:37]12.[NH2:8][c:9]1[cH:10][n:11][c:12]2[c:13]([c:14]1[NH:15][NH2:16])[cH:17][cH:18][cH:19][cH:20]2>>[CH:21]([CH3:22])([CH3:23])[NH:24][n:25]1[c:26]([CH2:39][CH3:40])[n:27][c:28]2[c:29]([NH2:38])[n:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]3[c:37]12