HRID1118673

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+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID20394

2-(Chloromethyl)quinoline

C10H8ClN

HCID166653

Hydride

H-

结构：O=C1Nc2ccccc2N(C(=O)CN2C(=O)c3ccccc3C2=O)C2CCCC12

HCID18940541

未命名化合物

PRODUCTS

生成物

结构：O=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2N(Cc2ccc3ccccc3n2)C(=O)C2CCCC21

HCID44212988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ee2a56d272d4244b5c43706b2ecee2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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