HRID2148097

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID1049

Pyridine

C5H5N

HCID70372

3,4,5-Trimethoxyphenylacetic acid

C11H14O5

HCID77909

1-Propyn-1-amine, N,N-diethyl- (9CI)

C7H13N

结构：COc1cc2c(cc1OC)C(=Cc1cc(OC)c(OC)c(OC)c1)NCC2

HCID70638952

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)C(=Cc1cc(OC)c(OC)c(OC)c1)N(C(=O)Cc1cc(OC)c(OC)c(OC)c1)CC2

HCID68123099

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f59ac4804ac4fb9aa72eec491485dbc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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