HRID1535275

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1nc2ccccc2s1

HCID3762392

2-(Tributylstannyl)-1,3-benzothiazole

C19H31NSSn

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(Br)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID136331865

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1(c2ccc(-c3c(-c4nc5ccccc5s4)nc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1

HCID69087701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bbb93925f7aa472f999b57075711e1ef
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

[Br:1][c:2]1[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1.[CH2:38]([Sn:39]([CH2:40][CH2:41][CH2:42][CH3:52])([c:43]1[s:44][c:45]2[c:46]([n:47]1)[cH:48][cH:49][cH:50][cH:51]2)[CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH3:59].[Cs+:61].[F-:60].[O:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[OH2:68]>>[c:2]1(-[c:43]2[s:44][c:45]3[c:46]([n:47]2)[cH:48][cH:49][cH:50][cH:51]3)[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1