HRID2318626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6325

Ethylene

C2H4

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID23994

Zinc

HCID521585

Tri(2-furyl)phosphine

C12H9O3P

结构：COC(=O)C(Cc1ccc(I)cc1)NC(=O)OC(C)(C)C

HCID13875796

未命名化合物

HCID22382018

未命名化合物

HCID22382025

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2c(C)ccn(C)c2=O)cc1)NC(=O)OC(C)(C)C

HCID21334949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d944892f3911419aa6d2a96741001bf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][Br:4].[CH2:5]=[CH2:6].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:12][n:13]1[c:14](=[O:21])[c:15]([I:20])[c:16]([CH3:19])[cH:17][cH:18]1.[CH3:22][n:23]1[cH:24][c:25]([I:26])[c:27]([CH3:28])[cH:29][c:30]1=[O:31].[CH3:48][O:49][C:50]([CH:51]([NH:52][C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[CH2:60][c:61]1[cH:62][cH:63][c:64]([I:67])[cH:65][cH:66]1)=[O:68].[CH3:7][Si:8]([CH3:9])([CH3:10])[Cl:11].[Cl-:69].[NH4+:70].[Zn:76].[o:32]1[cH:33][cH:34][cH:35][c:36]1[P:37]([c:38]1[o:39][cH:40][cH:41][cH:42]1)[c:43]1[o:44][cH:45][cH:46][cH:47]1>>[CH3:12][n:13]1[c:14](=[O:21])[c:15](-[c:64]2[cH:63][cH:62][c:61]([CH2:60][CH:51]([C:50]([O:49][CH3:48])=[O:68])[NH:52][C:53](=[O:54])[O:55][C:56]([CH3:57])([CH3:58])[CH3:59])[cH:66][cH:65]2)[c:16]([CH3:19])[cH:17][cH:18]1