HRID2330648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：Nc1cc(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)c1

HCID7023592

DIBENZYL 5-AMINOISOPHTHALATE

C22H19NO4

结构：O=C(O)c1nc(-c2ccc3ccccc3c2)[nH]c1CC1CCCCCC1

HCID11559331

未命名化合物

PRODUCTS

生成物

结构：O=C(OCc1ccccc1)c1cc(NC(=O)c2nc(-c3ccc4ccccc4c3)[nH]c2CC2CCCCCC2)cc(C(=O)OCc2ccccc2)c1

HCID11578431

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d10570b29c7484da0fc5e92545266d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][C:35]([c:36]1[cH:37][c:38]([C:39](=[O:40])[O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[cH:49][c:50]([NH2:52])[cH:51]1)=[O:53].[CH3:70][N:71]([CH3:72])[c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[CH:1]1([CH2:8][c:9]2[c:10]([C:24](=[O:25])[OH:26])[n:11][c:12](-[c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[nH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1.[ClH:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH:54][n:55]1[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[CH:1]1([CH2:8][c:9]2[c:10]([C:24](=[O:25])[NH:52][c:50]3[cH:49][c:38]([C:39](=[O:40])[O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[cH:37][c:36]([C:35]([O:34][CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)=[O:53])[cH:51]3)[n:11][c:12](-[c:14]3[cH:15][c:16]4[cH:17][cH:18][cH:19][cH:20][c:21]4[cH:22][cH:23]3)[nH:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7]1