HRID1536623

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7420

3-Hydroxybenzoic acid

C7H6O3

HCID8028

Tetrahydrofuran

C4H8O

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID28486

Lithium ion

Li+

结构：NCc1ccc(C(=O)NC(CNC(=O)c2ccccc2)C(=O)O)c(Cl)c1

HCID178509876

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(C(=O)NC(CNC(=O)c2ccccc2)C(=O)O)c(Cl)c1)c1cccc(O)c1

HCID22661290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67e3177ef95b45659760756d4a8fa989
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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