HRID2133453

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+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID26255

Tetrafluoroborate

BF4-

HCID102884

tert-Butyl prolinate

C9H17NO2

HCID130500

未命名化合物

结构：O=C(O)C(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O

HCID20077933

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)C1CCCN1C(=O)C(CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O

HCID20077930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba33eea30344454b971780fcec1e7a9a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[B-:53]([F:54])([F:55])([F:56])[F:57].[C:1]1(=[O:32])[c:2]2[c:3]([cH:28][cH:29][cH:30][cH:31]2)[C:4](=[O:27])[N:5]1[CH2:6][CH2:7][CH2:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]2[c:19]([cH:22][cH:23][cH:24][cH:25]2)[C:20]1=[O:21].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][C:39]([CH:40]1[NH:41][CH2:42][CH2:43][CH2:44]1)=[O:45].[C:75](=[O:76])([OH:77])[O-:78].[CH3:46][N:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1.[ClH:33].[Na+:79].[O:80]=[CH:81][N:82]([CH3:83])[CH3:84].[n:58]1([O:59][C:60]([N:61]([CH3:62])[CH3:63])=[N+:64]([CH3:65])[CH3:66])[c:67]2[cH:68][cH:69][cH:70][cH:71][c:72]2[n:73][n:74]1>>[C:1]1(=[O:32])[c:2]2[c:3]([cH:28][cH:29][cH:30][cH:31]2)[C:4](=[O:27])[N:5]1[CH2:6][CH2:7][CH2:8][CH:9]([C:10](=[O:12])[N:41]1[CH:40]([C:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])=[O:45])[CH2:44][CH2:43][CH2:42]1)[CH2:13][CH2:14][CH2:15][N:16]1[C:17](=[O:26])[c:18]2[c:19]([cH:22][cH:23][cH:24][cH:25]2)[C:20]1=[O:21]