HRID2334360

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID105034

Isocyanate

CNO-

HCID160435

Methanediimine

CH2N2

HCID22252994

未命名化合物

结构：CC(CC(O)C(N)Cc1ccccc1)C(=O)NCCC(C)(C)C

HCID178450601

未命名化合物

PRODUCTS

生成物

结构：CC(CC(O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccccc2)cc(N2CCCC2=O)c1)C(=O)NCCC(C)(C)C

HCID22253049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f74bee30a3eb44f69917bea3066142d8
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

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