HRID96681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID23994

Zinc

HCID24386

Thionyl chloride

Cl2OS

结构：O=C1N(Cc2ccccn2)c2cccc(Br)c2C1(O)c1cc2c(cc1O)OCC2

HCID58872508

未命名化合物

PRODUCTS

生成物

结构：O=C1C(c2cc3c(cc2O)OCC3)c2c(Br)cccc2N1Cc1ccccn1

HCID58872458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c33083af239045e79dac25ca729e5b03
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

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