HRID685875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID13220428

3-Bromothieno[3,2-b]pyridine

C7H4BrNS

HCID57752681

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc4cccnc4c3Br)c(C)nc12

HCID57752639

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-668a128bf1e44ce48bd8479084a41d99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][s:4][c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2.[CH2:22]([CH3:23])[CH:24]([CH2:25][CH3:26])[c:27]1[c:28]2[n:29]([n:30][c:31]([CH3:33])[cH:32]1)[c:34]([I:38])[c:35]([CH3:37])[n:36]2.[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:11][CH2:12][CH2:13][CH2:14][Li:15].[CH3:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21].[Cl:44][CH2:45][Cl:46].[OH2:47]>>[Br:1][c:2]1[c:3](-[c:34]2[n:29]3[c:28]([c:27]([CH:24]([CH2:22][CH3:23])[CH2:25][CH3:26])[cH:32][c:31]([CH3:33])[n:30]3)[n:36][c:35]2[CH3:37])[s:4][c:5]2[c:6]1[n:7][cH:8][cH:9][cH:10]2