HRID118376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID78623

N,N-Dimethylformamide dineopentyl acetal

C13H29NO2

结构：CCOC(=O)CCCn1cc(C=C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2O)nn1

HCID68766933

未命名化合物

HCID178418634

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCn1cc(C=C2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCC2SC(C)=O)nn1

HCID74020305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76d08d7e5fd54312b7876b4b4fc4bbbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:57]([CH3:58])(=[S:59])[OH:60].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][n:9]1[n:10][n:11][c:12]([CH:14]=[C:15]2[CH2:16][N:17]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:18][CH2:19][CH:20]2[OH:21])[cH:13]1.[CH2:41]([O:42][CH:43]([O:44][CH2:45][C:46]([CH3:47])([CH3:48])[CH3:49])[N:50]([CH3:51])[CH3:52])[C:53]([CH3:54])([CH3:55])[CH3:56].[CH3:62][N:63]([CH3:64])[CH:65]=[O:66].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[OH2:61]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH2:6][CH2:7][CH2:8][n:9]1[n:10][n:11][c:12]([CH:14]=[C:15]2[CH2:16][N:17]([C:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:18][CH2:19][CH:20]2[S:59][C:57]([CH3:58])=[O:60])[cH:13]1