HRID172981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2762872

5-chloropyridine-2-carboxylic Acid

C6H4ClNO2

HCID178452955

未命名化合物

PRODUCTS

产物

HCID76656267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3f77951eb310438aa04173c8e247a075
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

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