HRID120333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID9963

3-(Trifluoromethyl)benzoic acid

C8H5F3O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID21922924

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCNc1nc(Cl)nc2c1ncn2C1CCCC1)c1cccc(C(F)(F)F)c1

HCID21922944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af058fc740f24140a36d02bb526aabaa
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

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