HRID102921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID17211

4-Amino-3-chlorobenzoic acid

C7H6ClNO2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1)C(C)(C)C

HCID68655183

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(NC(=O)c1ccc(N)c(Cl)c1)C(=O)N1CCCC1C(=O)NC1CC(=O)OC1OCc1ccccc1

HCID22977492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2aad97937bcc4d90a8ee44e0642bdb07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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