HRID2124267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID20150036

未命名化合物

反应SMILES：FC(F)(F)COc1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876142

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1cccnn1)N1CCC(=Cc2cccc(Oc3ccc(OCC(F)(F)F)cn3)c2)CC1

HCID24964787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a85c3ace2ad742fb8c802cb051a028bb
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

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