HRID157434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID284

Formic acid

CH2O2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

结构：CC(=O)NC1(c2ccccc2)CCN(C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CN)c2ccc(Cl)c(Cl)c2)CC1

HCID57014931

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NC1(c2ccccc2)CCN(C(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC(CNC=O)c2ccc(Cl)c(Cl)c2)CC1

HCID86752339

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e8792a80f03472b83280e7e510e5ba4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:16]([CH3:17])(=[O:18])[NH:19][C:20]1([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:21][CH2:22][N:23]([CH:26]([CH2:27][CH:28]([CH2:29][NH2:30])[c:31]2[cH:32][c:33]([Cl:38])[c:34]([Cl:37])[cH:35][cH:36]2)[CH2:39][c:40]2[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]2)[CH2:24][CH2:25]1.[CH3:5][N:6]([CH3:7])[CH2:8][CH2:9][CH2:10][N:11]=[C:12]=[N:13][CH2:14][CH3:15].[CH3:60][N:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[CH:1](=[O:2])[OH:3].[Cl:67][CH2:68][Cl:69].[ClH:4].[ClH:70].[OH2:71]>>[CH:1](=[O:3])[NH:30][CH2:29][CH:28]([CH2:27][CH:26]([N:23]1[CH2:22][CH2:21][C:20]([NH:19][C:16]([CH3:17])=[O:18])([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[CH2:25][CH2:24]1)[CH2:39][c:40]1[cH:41][c:42]([C:50]([F:51])([F:52])[F:53])[cH:43][c:44]([C:46]([F:47])([F:48])[F:49])[cH:45]1)[c:31]1[cH:32][c:33]([Cl:38])[c:34]([Cl:37])[cH:35][cH:36]1