HRID144639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID15765418

Cyclopropanesulfonamide

C3H7NO2S

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)O)NC(=O)C2CC(Oc3nc4ccccc4c4ccccc34)CN2C1=O

HCID77506448

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCCCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(Oc3nc4ccccc4c4ccccc34)CN2C1=O

HCID178452713

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-442ae9970ed849a2b7aa2797ecd61018
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[C:18]([C:45](=[O:46])[OH:47])([NH:19][C:20](=[O:43])[CH:21]3[N:22]([C:23]1=[O:24])[CH2:25][CH:26]([O:28][c:29]1[n:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[c:37]4[cH:38][cH:39][cH:40][cH:41][c:42]14)[CH2:27]3)[CH2:44]2.[CH2:55]1[CH2:56][CH2:57][C:58]2=[N:63][CH2:62][CH2:61][CH2:60][N:59]2[CH2:64][CH2:65]1.[CH3:86][CH2:87][O:88][C:89]([CH3:90])=[O:91].[CH:48]1([S:51](=[O:52])(=[O:53])[NH2:54])[CH2:49][CH2:50]1.[Cl-:80].[Na+:79].[O:81]=[CH:82][N:83]([CH3:84])[CH3:85].[OH:66][C:67]([CH2:68][C:69]([C:70](=[O:71])[OH:72])([CH2:73][C:74](=[O:75])[OH:76])[OH:77])=[O:78]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH:15]=[CH:16][CH:17]2[C:18]([C:45](=[O:46])[NH:54][S:51]([CH:48]3[CH2:49][CH2:50]3)(=[O:52])=[O:53])([NH:19][C:20](=[O:43])[CH:21]3[N:22]([C:23]1=[O:24])[CH2:25][CH:26]([O:28][c:29]1[n:30][c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]4[c:37]4[cH:38][cH:39][cH:40][cH:41][c:42]14)[CH2:27]3)[CH2:44]2