HRID1572495

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID6503

Tromethamine

C4H11NO3

HCID58562633

未命名化合物

反应SMILES：O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CNC1

HCID68003594

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(CNc1ncnc2ccc(C(F)(F)F)cc12)NC1CN(C2CCC(c3ncccc3O)CC2)C1

HCID54769746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d09a564bbcc64b528ec429a296fd5519
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

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