HRID2152135

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID7723

4-Chlorobenzyl chloride

C7H6Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID16028

Tetrabutylammonium

C16H36N+

HCID67902874

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(-c2cccs2)c2cc(Cl)ccc2n1Cc1ccc(Cl)cc1

HCID67855865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee2dc7db1fe34f7996e5b19157590616
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-:55].[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:30][N:31]([CH3:32])[P:33](=[O:34])([N:35]([CH3:36])[CH3:37])[N:38]([CH3:39])[CH3:40].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[Cl-:41].[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:7][c:8]2[cH:9][cH:10]1.[Cl:21][c:22]1[cH:23][cH:24][c:25]([CH2:26][Cl:27])[cH:28][cH:29]1.[NH4+:42].[O:43]1[CH2:44][CH2:45][CH2:46][CH2:47]1>>[Cl:1][c:2]1[cH:3][c:4]2[c:5](-[c:16]3[s:17][cH:18][cH:19][cH:20]3)[c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:7]([CH2:26][c:25]3[cH:24][cH:23][c:22]([Cl:21])[cH:29][cH:28]3)[c:8]2[cH:9][cH:10]1