HRID108169

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12568260

未命名化合物

结构：O=C(Nc1ccc(C2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937157

未命名化合物

PRODUCTS

生成物

结构：CC1(C(=O)O)CCC(C(=O)N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)CC1

HCID25122924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88ebe863134a47c58fd7c6e606b970f7
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

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