HRID939758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

HCID23650837

2-Chloro-6-{[4-(methanesulfonyl)piperazin-1-yl]methyl}-4-(morpholin-4-yl)thieno[3,2-d]pyrimidine

C16H22ClN5O3S2

结构：CC1(C)OB(c2cccc3nn(C4CCCCO4)cc23)OC1(C)C

HCID25268843

2-(Oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole

C18H25BN2O3

PRODUCTS

生成物

结构：CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5nn(C6CCCCO6)cc45)nc(N4CCOCC4)c3s2)CC1

HCID25268845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ded1cc107a343d2977a0bf1812a8d1d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:59]1[O:60][CH2:61][CH2:62][O:63][CH2:64]1.[CH2:65]([Cl:66])[Cl:67].[Cl:1][c:2]1[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[O:35]1[CH:36]([n:41]2[n:42][c:43]3[cH:44][cH:45][cH:46][c:47]([B:50]4[O:51][C:52]([CH3:53])([CH3:54])[C:55]([CH3:56])([CH3:57])[O:58]4)[c:48]3[cH:49]2)[CH2:37][CH2:38][CH2:39][CH2:40]1.[OH2:28]>>[c:2]1(-[c:47]2[cH:46][cH:45][cH:44][c:43]3[n:42][n:41]([CH:36]4[O:35][CH2:40][CH2:39][CH2:38][CH2:37]4)[cH:49][c:48]32)[n:3][c:4]([N:22]2[CH2:23][CH2:24][O:25][CH2:26][CH2:27]2)[c:5]2[c:6]([n:7]1)[cH:8][c:9]([CH2:11][N:12]1[CH2:13][CH2:14][N:15]([S:18](=[O:19])(=[O:20])[CH3:21])[CH2:16][CH2:17]1)[s:10]2