HRID2147707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：CCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036089

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(CO)c(C(=O)OCC)n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID19036205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe0a99ba926b4ad9a837d8915076216c
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

[CH2:11]([CH2:12][CH3:13])[c:14]1[n:15]([CH2:29][c:30]2[cH:31][cH:32][c:33](-[c:36]3[c:37](-[c:42]4[n:43][n:44][n:45][n:46]4[C:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:38][cH:39][cH:40][cH:41]3)[cH:34][cH:35]2)[c:16]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:17]([C:19](=[O:20])[O:21][CH2:22][CH3:23])[n:18]1.[CH2:2]([Al+:3][CH2:4][CH:5]([CH3:6])[CH3:7])[CH:8]([CH3:9])[CH3:10].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[CH3:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[Cl-:72].[H-:1].[NH4+:73].[O:81]1[CH2:82][CH2:83][CH2:84][CH2:85]1>>[CH2:11]([CH2:12][CH3:13])[c:14]1[n:15]([CH2:29][c:30]2[cH:31][cH:32][c:33](-[c:36]3[c:37](-[c:42]4[n:43][n:44][n:45][n:46]4[C:47]([c:48]4[cH:49][cH:50][cH:51][cH:52][cH:53]4)([c:54]4[cH:55][cH:56][cH:57][cH:58][cH:59]4)[c:60]4[cH:61][cH:62][cH:63][cH:64][cH:65]4)[cH:38][cH:39][cH:40][cH:41]3)[cH:34][cH:35]2)[c:16]([C:24](=[O:25])[O:26][CH2:27][CH3:28])[c:17]([CH2:19][OH:20])[n:18]1