HRID185358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

HCID104810

Barium (II) ion

Ba+2

HCID57752681

未命名化合物

HCID68857091

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc4ccc(C)cc4c3C)c(C)nc12

HCID57752606

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c65a6a365d44e88b113b6ba1d2f996a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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