HRID1141689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(I)c(Cl)cnc21

HCID46736364

5-Chloro-4-iodo-1-[tri(propan-2-yl)silyl]-1H-pyrrolo[2,3-b]pyridine

C16H24ClIN2Si

结构：CC(C)(C)OC(=O)N(Cc1ccccc1)C12CCC(C=O)(CC1)CC2

HCID58557601

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(C(O)C34CCC(N(Cc5ccccc5)C(=O)OC(C)(C)C)(CC3)CC4)c(Cl)cnc21

HCID58557653

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f3328cdb6a4488ca465b5205ebc346c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:34]([C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])[C:42]12[CH2:43][CH2:44][C:45]([CH:50]=[O:51])([CH2:46][CH2:47]1)[CH2:48][CH2:49]2.[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:22][CH2:23][CH2:24][CH2:25][Li:26].[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cl-:52].[Cl:1][c:2]1[c:3]([I:21])[c:4]2[c:5]([n:6][cH:7]1)[n:8]([Si:11]([CH:12]([CH3:13])[CH3:14])([CH:15]([CH3:16])[CH3:17])[CH:18]([CH3:19])[CH3:20])[cH:9][cH:10]2.[NH4+:53]>>[Cl:1][c:2]1[c:3]([CH:50]([C:45]23[CH2:44][CH2:43][C:42]([N:34]([CH2:27][c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[C:35]([O:36][C:37]([CH3:38])([CH3:39])[CH3:40])=[O:41])([CH2:47][CH2:46]2)[CH2:49][CH2:48]3)[OH:51])[c:4]2[c:5]([n:6][cH:7]1)[n:8]([Si:11]([CH:12]([CH3:13])[CH3:14])([CH:15]([CH3:16])[CH3:17])[CH:18]([CH3:19])[CH3:20])[cH:9][cH:10]2