HRID120247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID87843

Benzene, 1-isocyanato-3-methoxy-

C8H7NO2

结构：Cc1cccc(C=NNc2cc(N3CCOCC3)nc(CCCO)n2)c1

HCID66840679

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(NC(=O)OCCCc2nc(NN=Cc3cccc(C)c3)cc(N3CCOCC3)n2)c1

HCID66841255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53e2c68fa7b2453ca1988a2e59f74736
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

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