HRID173378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6378

(+/-)-1,2-Propylene oxide

C3H6O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(CBr)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1CC(NC(=O)COc2ccccc2)C1=O

HCID54357627

未命名化合物

HCID178482017

未命名化合物

PRODUCTS

生成物

结构：CC(CSc1nnnn1C)=C(C(=O)OC(c1ccccc1)c1ccccc1)N1CC(NC(=O)COc2ccccc2)C1=O

HCID86736894

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a109944a2ed941858aff8cb57962741e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:51]1[O:52][CH:53]1[CH3:54].[CH3:38][n:39]1[n:40][n:41][n:42][c:43]1[SH:44].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:37])[N:14]([C:16]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[C:33]([CH2:34][Br:35])[CH3:36])[CH2:15]1>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH2:8][C:9](=[O:10])[NH:11][CH:12]1[C:13](=[O:37])[N:14]([C:16]([C:17](=[O:18])[O:19][CH:20]([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)=[C:33]([CH2:34][S:44][c:43]2[n:39]([CH3:38])[n:40][n:41][n:42]2)[CH3:36])[CH2:15]1