HRID1116007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID83552

Ethylenebis(chlorodimethylsilane)

C6H16Cl2Si2

HCID21463021

tert-Butyl 3-(chloromethyl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate

C13H15ClN2O2

HCID57619288

未命名化合物

HCID178418306

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)n1cc(Cc2ccc(NCc3ccc(Cl)cc3)nn2)c2cccnc21

HCID57619248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b804590b78f40b7bb492512810a77ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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