HRID1565987

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID7900

1-Methoxy-2-propanol

C4H10O2

HCID11776

Triphenylphosphine

C18H15P

结构：Cc1ccc(S(=O)(=O)n2c(-c3cn(C)c4ccc(O)cc34)cc3cccnc32)cc1

HCID22477251

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1ccc2c(c1)c(-c1cc3cccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID22477270

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea416948c60f4e98a4614c37d7b8abae
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

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