HRID99163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID24290

未命名化合物

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ncccn1

HCID2763251

2-(tributylstannyl)pyrimidine

C16H30N2Sn

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(Br)cc2)CC1

HCID11210451

tert-Butyl 4-(4-bromoanilino)piperidine-1-carboxylate

C16H23BrN2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Nc2ccc(-c3ncccn3)cc2)CC1

HCID58985153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fea0d46c94c4dedb7f85885d7028440
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][cH:17][c:18]([Br:21])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[CH2:22]([Sn:23]([CH2:24][CH2:25][CH2:26][CH3:33])([c:27]1[n:28][cH:29][cH:30][cH:31][n:32]1)[CH2:34][CH2:35][CH2:36][CH3:37])[CH2:38][CH2:39][CH3:40].[CH3:41][O:42][CH2:43][CH2:44][O:45][CH3:46].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[OH2:53].[Pd:54]([Cl:55])[Cl:56].[c:57]1([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72][cH:73][cH:74][cH:75]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][CH:11]([NH:14][c:15]2[cH:16][cH:17][c:18](-[c:27]3[n:28][cH:29][cH:30][cH:31][n:32]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1