HRID2349345

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

反应SMILES：N#Cc1cc(Oc2c(Cl)ccc(CN)c2F)cc(C2CC2)c1

HCID68487554

未命名化合物

反应SMILES：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)c(C(=O)O)[nH]1

HCID178454348

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)c(C(=O)NCc2ccc(Cl)c(Oc3cc(C#N)cc(C4CC4)c3)c2F)[nH]1

HCID178454346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b71d78a2db004b11b0976bc96f86621f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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