HRID1139342

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

HCID57707986

未命名化合物

HCID57708065

未命名化合物

HCID178527888

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1nc2c(C)cccc2cc1CSc1ncnc2[nH]cnc12

HCID178424199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74587f05448b4eea8b87adf0fdb51e7b
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

[Br:47][CH2:48][c:49]1[c:50](-[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[CH3:57])[n:58][c:59]2[c:60]([cH:61]1)[cH:62][cH:63][cH:64][c:65]2[CH3:66].[C:1]([Br:2])([Br:3])([Br:4])[Br:5].[CH2:82]1[O:83][CH2:84][CH2:85][CH2:86]1.[CH3:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[cH:12][c:13]([CH2:24][OH:25])[c:14](-[c:17]3[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]3)[n:15][c:16]12.[Cl:79][CH2:80][Cl:81].[ClH:78].[Na+:46].[OH-:45].[OH2:67].[SH:68][c:69]1[c:70]2[nH:71][cH:72][n:73][c:74]2[n:75][cH:76][n:77]1.[c:26]1([P:27]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH3:6][c:7]1[cH:8][cH:9][cH:10][c:11]2[cH:12][c:13]([CH2:24][S:68][c:69]3[c:70]4[n:71][cH:72][nH:73][c:74]4[n:75][cH:76][n:77]3)[c:14](-[c:17]3[c:18]([CH3:23])[cH:19][cH:20][cH:21][cH:22]3)[n:15][c:16]12