HRID2150354

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID24408

Bromine

Br2

结构：COCc1c(C(N)=O)ncc2[nH]c3cccc(Oc4ccccc4)c3c12

HCID23039409

未命名化合物

PRODUCTS

生成物

结构：COCc1c(C#N)ncc2[nH]c3cccc(Oc4ccccc4)c3c12

HCID23039477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c41faa44276849c5bdb2a77f7a18da0c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][Br:2].[CH2:55]([Cl:56])[Cl:57].[CH3:48][CH2:49][N:50]([CH2:51][CH3:52])[CH2:53][CH3:54].[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[c:30]2[c:31]3[c:32]([CH2:45][O:46][CH3:47])[c:33]([C:42](=[O:43])[NH2:44])[n:34][cH:35][c:36]3[nH:37][c:38]2[cH:39][cH:40][cH:41]1.[OH2:58].[c:3]1([P:4]([c:5]2[cH:6][cH:7][cH:8][cH:9][cH:10]2)[c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1>>[O:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[c:29]1[c:30]2[c:31]3[c:32]([CH2:45][O:46][CH3:47])[c:33]([C:42]#[N:44])[n:34][cH:35][c:36]3[nH:37][c:38]2[cH:39][cH:40][cH:41]1