HRID813480

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21914090

未命名化合物

结构：Cc1cc(C(N)=O)cc(C)c1CC(NC(=O)OC(C)(C)C)C(=O)O

HCID22147667

未命名化合物

HCID178420113

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(N)=O)cc(C)c1CC(NC(=O)OC(C)(C)C)C(=O)N1CCCCC1c1nc(-c2ccccc2)c[nH]1

HCID178426697

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b5ef99a3874c49cea5269be42438823a
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[c:15]([CH3:24])[cH:16][c:17]([C:21]([NH2:22])=[O:23])[cH:18][c:19]1[CH3:20].[CH3:52][N:53]([CH3:54])[CH2:55][CH2:56][CH2:57][CH2:58][N:59]=[C:60]=[N:61][CH2:62][CH3:63].[O:77]=[CH:78][N:79]([CH3:80])[CH3:81].[OH:25][n:26]1[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[OH:64][C:65]([CH2:66][C:67]([C:68](=[O:69])[OH:70])([CH2:71][C:72](=[O:73])[OH:74])[OH:75])=[O:76].[c:35]1(-[c:41]2[n:42][c:43]([CH:46]3[NH:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[nH:44][cH:45]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[N:47]1[CH:46]([c:43]2[n:42][c:41](-[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:45][nH:44]2)[CH2:51][CH2:50][CH2:49][CH2:48]1)[CH2:13][c:14]1[c:15]([CH3:24])[cH:16][c:17]([C:21]([NH2:22])=[O:23])[cH:18][c:19]1[CH3:20]