HRID197581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID22262358

3,4-Dimethoxy-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-methanamine

C12H17NO2

结构：COc1cc2c(cc1OC)CCN(C(=O)CCN(C)CC1Cc3cc(OC)c(OC)cc31)CC2

HCID25213738

未命名化合物

HCID68533314

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2c(cc1OC)CCN(C(=O)CCN(C)CCC1Cc3cc(OC)c(OC)cc3C1)CC2

HCID68532050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bb542d8f5b14cc7a5a4651b57be9e7c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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