HRID1535289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15891

Phenyl carbonochloridate

C7H5ClO2

HCID79577

1,3-Propanediamine, N,N-diethyl-N'-methyl-

C8H20N2

结构：Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1

HCID23153017

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCN(C)C(=O)Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1

HCID57677726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3eb52cd3cfd64333812fcd1929ba5bec
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

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