HRID2135003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

结构：CC(=O)OCC1OC(OC(C)=O)C(N)C(OC(C)=O)C1OC(C)=O

HCID408523

未命名化合物

结构：CC(=O)N(C)c1c(I)c(-c2cc([N+](=O)[O-])c(C(=O)O)c([N+](=O)[O-])c2)c(I)c(N(C)C(C)=O)c1I

HCID22708911

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(OC(C)=O)(C(=O)c2c([N+](=O)[O-])cc(-c3c(I)c(N(C)C(C)=O)c(I)c(N(C)C(C)=O)c3I)cc2[N+](=O)[O-])C(N)C(OC(C)=O)C1OC(C)=O

HCID178476163

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d42f699100ff40bdb5d9f116ef331991
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

[C:35]([CH3:36])(=[O:37])[O:38][CH:39]1[CH:40]([NH2:41])[CH:42]([O:43][C:44]([CH3:45])=[O:46])[CH:47]([O:48][C:49]([CH3:50])=[O:51])[CH:52]([CH2:54][O:55][C:56]([CH3:57])=[O:58])[O:53]1.[CH3:60][N:61]([CH3:62])[CH2:63][CH2:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH3:70].[ClH:59].[I:1][c:2]1[c:3](-[c:20]2[cH:21][c:22]([N+:32](=[O:33])[O-:34])[c:23]([C:29](=[O:30])[OH:31])[c:24]([N+:26](=[O:27])[O-:28])[cH:25]2)[c:4]([I:19])[c:5]([N:14]([C:15]([CH3:16])=[O:17])[CH3:18])[c:6]([I:13])[c:7]1[N:8]([C:9]([CH3:10])=[O:11])[CH3:12]>>[I:1][c:2]1[c:3](-[c:20]2[cH:21][c:22]([N+:32](=[O:33])[O-:34])[c:23]([C:29](=[O:30])[C:39]3([O:38][C:35]([CH3:36])=[O:37])[CH:40]([NH2:41])[CH:42]([O:43][C:44]([CH3:45])=[O:46])[CH:47]([O:48][C:49]([CH3:50])=[O:51])[CH:52]([CH2:54][O:55][C:56]([CH3:57])=[O:58])[O:53]3)[c:24]([N+:26](=[O:27])[O-:28])[cH:25]2)[c:4]([I:19])[c:5]([N:14]([C:15]([CH3:16])=[O:17])[CH3:18])[c:6]([I:13])[c:7]1[N:8]([C:9]([CH3:10])=[O:11])[CH3:12]