HRID1220929

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2777432

N-{Hydroxy[3-(trifluoromethyl)phenyl]methylidene}glycine

C10H8F3NO3

HCID59541993

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CN(C2CC=C(c3ccc4c(c3)OCO4)CC2)C1

HCID56680600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77f351a7e4924306b10efc751640cc80
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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