HRID1135723

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：NC1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O

HCID10735383

3-Amino-5-phenyl-1-(2,2,2-trifluoroethyl)-1H-benzo[e][1,4]diazepin-2(3H)-one

C17H14F3N3O

HCID18440314

未命名化合物

PRODUCTS

生成物

结构：O=C1NC(=O)C2(CCc3cc(C(=O)NC4N=C(c5ccccc5)c5ccccc5N(CC(F)(F)F)C4=O)ccc3C2)N1

HCID178518250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3533861ddf1b435cb0fec438b72ff9ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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