HRID179490

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID3280088

未命名化合物

结构：CC(C(O)c1ccccc1)N(C)C(=O)Cc1ccc(SC2CC2)cc1

HCID67484345

未命名化合物

结构：ICC1CCC2(C1)OC(c1ccccc1)C(c1ccccc1)O2

HCID178506577

未命名化合物

PRODUCTS

生成物

结构：CC(C(O)c1ccccc1)N(C)C(=O)C(CC1CCC2(C1)OC(c1ccccc1)C(c1ccccc1)O2)c1ccc(SC2CC2)cc1

HCID178458327

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9c55e54438f94f95933629468217445d
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

[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:2][Si:3]([N-:4][Si:5]([CH3:6])([CH3:7])[CH3:8])([CH3:9])[CH3:10].[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[CH3:73][N:74]1[CH2:75][CH2:76][CH2:77][N:78]([CH3:79])[C:80]1=[O:81].[CH:11]1([S:14][c:15]2[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[N:24]([CH3:25])[CH:26]([CH:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH3:35])[cH:19][cH:20]2)[CH2:12][CH2:13]1.[Cl-:59].[I:36][CH2:37][CH:38]1[CH2:39][C:40]2([O:41][CH:42]([c:51]3[cH:52][cH:53][cH:54][cH:55][cH:56]3)[CH:43]([c:45]3[cH:46][cH:47][cH:48][cH:49][cH:50]3)[O:44]2)[CH2:57][CH2:58]1.[Li+:1].[NH4+:60]>>[CH:11]1([S:14][c:15]2[cH:16][cH:17][c:18]([CH:21]([C:22](=[O:23])[N:24]([CH3:25])[CH:26]([CH:27]([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[OH:34])[CH3:35])[CH2:37][CH:38]3[CH2:39][C:40]4([O:41][CH:42]([c:51]5[cH:52][cH:53][cH:54][cH:55][cH:56]5)[CH:43]([c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)[O:44]4)[CH2:57][CH2:58]3)[cH:19][cH:20]2)[CH2:12][CH2:13]1