Benzene → HCID 67021617, compound

HRID 2313811Notes

Reaction equation

HRID 2313811 reaction equation
[C:53](=[O:54])([O-:55])[O-:56].[CH3:70][CH2:71][O:72][CH2:73][CH3:74].[CH:21](=[CH:22][C:23]([CH:24]=[CH:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)=[O:32])[c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[ClH:59].[Cs+:57].[Cs+:58].[Cu+:89].[F:81][C:82]([F:83])([F:84])[S:85]([O-:86])(=[O:87])=[O:88].[I:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1.[Na+:69].[OH-:68].[c:60]1([CH3:61])[c:62]([CH3:63])[cH:64][cH:65][cH:66][cH:67]1.[cH:39]1[cH:40][c:41]2[cH:42][cH:43][c:44]3[c:45]([c:46]2[n:47][cH:48]1)[n:49][cH:50][cH:51][cH:52]3.[cH:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1.[n:12]1[cH:13][nH:14][c:15]2[c:16]1[cH:17][cH:18][cH:19][cH:20]2>>[c:2]1(-[n:12]2[cH:13][n:14][c:15]3[c:16]2[cH:17][cH:18][cH:19][cH:20]3)[cH:3][cH:4][c:5]([CH2:8][C:9](=[O:10])[OH:11])[cH:6][cH:7]1

Participants

15

Reactant 14

HCID 241BenzeneHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 13181,10-PhenanthrolineHCID 3283Diethyl EtherHCID 5798BenzimidazoleHCID 7237O-XyleneHCID 19660Carbonate IonHCID 95417Dibenzylidene acetoneHCID 104815Copper(1+)HCID 104967Cesium cation2×HCID 1372144-Iodophenylacetic acidHCID 2758875Trifluoromethanesulfonate

Product 1

HCID 67021617HCID 67021617, compound

Sources & evidence

ORD record
ord-6412403b88c846f7bc72d1393cf0786a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

Loading…