HRID942728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID77575

2,2-Diphenylethylamine

C14H15N

结构：CC(=O)OCC1OC(n2cnc3c(Cl)nc(I)nc32)C(OC(C)=O)C1OC(C)=O

HCID3653476

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(I)nc32)C(OC(C)=O)C1OC(C)=O

HCID22475958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c95055839f1b40cc9dc9a32b9353c386
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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