HRID93583

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)Oc1ccc(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)cc1Cl

HCID57594128

未命名化合物

结构：CC(O)c1cccn2cc(-c3ccc(CC(CCO)NC(=O)OC(C)(C)C)cc3)nc12

HCID57938896

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(C(=O)NC(CCO)Cc2ccc(-c3cn4cccc(C(C)O)c4n3)cc2)cc1Cl

HCID56644303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36d5560611864ca4b3d0f9bcabee7e72
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[Cl:48][c:49]1[cH:50][c:51]([C:52]([O:53][c:54]2[c:55]([F:56])[c:57]([F:58])[c:59]([F:60])[c:61]([F:62])[c:63]2[F:64])=[O:65])[cH:66][cH:67][c:68]1[O:69][CH:70]([CH3:71])[CH3:72].[ClH:32].[OH2:73].[OH:1][CH2:2][CH2:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]3[n:15]([cH:16][cH:17][cH:18][c:19]3[CH:20]([CH3:21])[OH:22])[cH:23]2)[cH:10][cH:11]1)[NH:24][C:25]([O:26][C:27]([CH3:28])([CH3:29])[CH3:30])=[O:31]>>[OH:1][CH2:2][CH2:3][CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:12]2[n:13][c:14]3[n:15]([cH:16][cH:17][cH:18][c:19]3[CH:20]([CH3:21])[OH:22])[cH:23]2)[cH:10][cH:11]1)[NH:24][C:25](=[O:31])[c:51]1[cH:50][c:49]([Cl:48])[c:68]([O:69][CH:70]([CH3:71])[CH3:72])[cH:67][cH:66]1