HRID1540676

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID75555

未命名化合物

HCID2731701

1,2-Dihydro-1-naphthyl-5H-tetrazole-5-thione

C11H8N4S

HCID24777450

未命名化合物

PRODUCTS

生成物

结构：OC(CCSc1nnnn1-c1cccc2ccccc12)c1ccccc1Cl

HCID5275125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25bdc40670b34948a854b13c6b7c874a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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