HRID203277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(C(=O)NC(CN)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl

HCID76613277

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(C(=O)NC(CNC(=O)CN(C)C)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl

HCID56644302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24b494dcbce542bc9f61b7300f61dad8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:64]([Cl:65])[Cl:66].[CH3:37][CH2:38][N:39]=[C:40]=[N:41][CH2:42][CH2:43][CH2:44][N:45]([CH3:46])[CH3:47].[CH3:57][N:58]([CH3:59])[CH2:60][C:61]([OH:62])=[O:63].[CH:48]([N:49]([CH2:50][CH3:51])[CH:52]([CH3:53])[CH3:54])([CH3:55])[CH3:56].[NH2:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([cH:15][cH:16][cH:17][c:18]3[CH:19]([CH3:20])[OH:21])[cH:22]2)[cH:9][cH:10]1)[NH:23][C:24]([c:25]1[cH:26][c:27]([Cl:35])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1)=[O:36].[OH2:67]>>[NH:1]([CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([cH:15][cH:16][cH:17][c:18]3[CH:19]([CH3:20])[OH:21])[cH:22]2)[cH:9][cH:10]1)[NH:23][C:24]([c:25]1[cH:26][c:27]([Cl:35])[c:28]([O:31][CH:32]([CH3:33])[CH3:34])[cH:29][cH:30]1)=[O:36])[C:61]([CH2:60][N:58]([CH3:57])[CH3:59])=[O:62]