Chloride → HCID 68682249, compound

HRID 698771Notes

Reaction equation

HRID 698771 reaction equation
[Br:16][c:17]1[cH:18][cH:19][c:20]([OH:21])[c:22]([C:24]([OH:25])=[O:26])[cH:23]1.[CH:1]1([c:4]2[cH:5][cH:6][c:7]([O:13][CH2:14][CH3:15])[c:8]([C:9]([Cl:10])=[O:11])[cH:12]2)[CH2:2][CH2:3]1.[CH:30]1([B:31]([OH:32])[OH:33])[CH2:34][CH2:35]1.[Cl-:36].[Cl:37][c:38]1[cH:39][cH:40][c:41]([C:44]2([CH3:70])[N:45]=[C:46]([c:57]3[cH:58][cH:59][c:60]([C:61]([CH3:62])([CH3:63])[CH3:64])[cH:65][c:66]3[O:67][CH2:68][CH3:69])[NH:47][C:48]2([CH3:49])[c:50]2[cH:51][cH:52][c:53]([Cl:56])[cH:54][cH:55]2)[cH:42][cH:43]1.[I:27][CH2:28][CH3:29]>>[CH:1]1([c:4]2[cH:5][cH:6][c:7]([O:13][CH2:14][CH3:15])[c:8]([C:9]3=[N:45][C:44]([c:41]4[cH:40][cH:39][c:38]([Cl:37])[cH:43][cH:42]4)([CH3:70])[C:48]([CH3:49])([c:50]4[cH:51][cH:52][c:53]([Cl:56])[cH:54][cH:55]4)[NH:47]3)[cH:12]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 312ChlorideHCID 6340IodoethaneHCID 69725-Bromosalicylic acidHCID 2760897Cyclopropylboronic acidHCID 53628801rac-(4S*,5R*)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazoleHCID 86612890HCID 86612890, compound

Product 1

HCID 68682249HCID 68682249, compound

Sources & evidence

ORD record
ord-96a593faa56d4699bbe371a21f21a207
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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