HRID1216385

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID24290

未命名化合物

HCID31275

1,4-Dioxane

C4H8O2

结构：c1ccc(P(CCCCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1

HCID82124

Phosphine, 1,4-butanediylbis[diphenyl-

C28H28P2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cccn1C

HCID2769397

1-Methyl-2-(tributylstannyl)pyrrole

C17H33NSn

结构：Ic1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

HCID21952131

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1cccc1-c1ccc2ncnc(Nc3ccc4c(cnn4Cc4ccccc4)c3)c2c1

HCID22609830

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f47b0819a44ab98a4d8822d4e27dd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:21]([c:22]1[cH:23][cH:24][cH:25][cH:26][cH:27]1)[n:28]1[n:29][cH:30][c:31]2[cH:32][c:33]([NH:37][c:38]3[n:39][cH:40][n:41][c:42]4[cH:43][cH:44][c:45]([I:48])[cH:46][c:47]34)[cH:34][cH:35][c:36]12.[CH3:1][n:2]1[c:3]([Sn:7]([CH2:8][CH2:9][CH2:10][CH3:11])([CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH2:18][CH3:19])[cH:4][cH:5][cH:6]1.[CH3:49][CH2:50][N:51]([CH2:52][CH3:53])[CH2:54][CH3:55].[CH3:63][CH2:64][O:65][C:66]([CH3:67])=[O:68].[ClH:20].[ClH:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[Pd:69]([Cl:70])[Cl:71].[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[CH2:80][CH2:81][CH2:82][CH2:83][P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[CH3:1][n:2]1[c:3](-[c:45]2[cH:44][cH:43][c:42]3[n:41][cH:40][n:39][c:38]([NH:37][c:33]4[cH:32][c:31]5[cH:30][n:29][n:28]([CH2:21][c:22]6[cH:23][cH:24][cH:25][cH:26][cH:27]6)[c:36]5[cH:35][cH:34]4)[c:47]3[cH:46]2)[cH:4][cH:5][cH:6]1.[ClH:20]