HRID1147226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：CCCCc1nc(C(=O)OC)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036148

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nc(CO)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb52190b4fa74ae18e8ba94f9e5a3886
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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