HRID143514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8357

3,4,5-Trimethoxybenzoic acid

C10H12O5

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：COc1cc2c(cc1OC)CCCC(C(=O)N1CCNCC1)=C2

HCID10245231

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CCCC(C(=O)N1CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC1)=C2

HCID9849220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5a6046eb5e04defbe2497f675bd69f5
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

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