HRID318078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID161603

Pyrazole, 4-amino-1,3,5-trimethyl-

C6H11N3

结构：COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)O)cc1Cl

HCID22665563

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nc(N3CCCC3CO)ncc2C(=O)Nc2c(C)nn(C)c2C)cc1Cl

HCID22321197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d78952e880ea4d8ba1eb9a3d653f5418
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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