HRID303086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID70696

Trimethylsilyl isocyanate

C4H9NOSi

结构：CC(=O)OCC1OC(Oc2cccc3occ(CCc4ccc(N)cc4)c23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476071

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(Oc2cccc3occ(CCc4ccc(NC(N)=O)cc4)c23)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476072

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d23f5e782ed46729cdde6d9696f6f3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:43][Si:44]([CH3:45])([CH3:46])[N:47]=[C:48]=[O:49].[ClH:51].[NH2:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[cH:11][o:12][c:13]3[c:14]2[c:15]([O:19][CH:20]2[CH:21]([O:22][C:23]([CH3:24])=[O:25])[CH:26]([O:27][C:28]([CH3:29])=[O:30])[CH:31]([O:32][C:33]([CH3:34])=[O:35])[CH:36]([CH2:38][O:39][C:40]([CH3:41])=[O:42])[O:37]2)[cH:16][cH:17][cH:18]3)[cH:6][cH:7]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:50]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][c:10]2[cH:11][o:12][c:13]3[c:14]2[c:15]([O:19][CH:20]2[CH:21]([O:22][C:23]([CH3:24])=[O:25])[CH:26]([O:27][C:28]([CH3:29])=[O:30])[CH:31]([O:32][C:33]([CH3:34])=[O:35])[CH:36]([CH2:38][O:39][C:40]([CH3:41])=[O:42])[O:37]2)[cH:16][cH:17][cH:18]3)[cH:6][cH:7]1)[C:48]([NH2:47])=[O:49]