HRID169454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID56965659

未命名化合物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)O)c(OC)cc3C)cc12

HCID59275604

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cc(C(=O)NC4(c5ncccn5)CC4)c(OC)cc3C)cc12

HCID59275769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc09fb5e489943a8aac2b01cdbd0c1d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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