Sodium ion → (1-cyclohexyl-2-(5-(4-methoxypyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-3-ylamino)-1H-benzo[d]imidazol-5-yl)methanol

HRID 162462Notes

Reaction equation

HRID 162462 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([NH:19][c:20]3[n:21][c:22]4[c:23]([n:24]3[CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:31][cH:32][c:33]([CH2:35][OH:36])[cH:34]4)[n:6][n:7]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10]1.[CH2:51]1[O:52][CH2:53][CH2:54][O:55][CH2:56]1.[CH3:37][O:38][c:39]1[c:40]([B:45]([OH:46])[OH:47])[cH:41][n:42][cH:43][cH:44]1.[Cl:48][CH2:49][Cl:50].[Na+:57].[Na+:58].[O-:59][C:60](=[O:61])[O-:62].[OH2:63]>>[c:2]1(-[c:40]2[c:39]([O:38][CH3:37])[cH:44][cH:43][n:42][cH:41]2)[cH:3][c:4]2[c:5]([NH:19][c:20]3[n:21][c:22]4[c:23]([n:24]3[CH:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)[cH:31][cH:32][c:33]([CH2:35][OH:36])[cH:34]4)[n:6][n:7]([CH2:11][O:12][CH2:13][CH2:14][Si:15]([CH3:16])([CH3:17])[CH3:18])[c:8]2[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 962WaterHCID 6344DichloromethaneHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 27625564-Methoxypyridine-3-boronic acidHCID 67255070(2-(5-bromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-3-ylamino)-1-cyclohexyl-1H-benzo[d]imidazol-5-yl)methanol

Product 1

HCID 67253029(1-cyclohexyl-2-(5-(4-methoxypyridin-3-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-indazol-3-ylamino)-1H-benzo[d]imidazol-5-yl)methanol

Sources & evidence

ORD record
ord-dcb6eab4f094474ca4dd49d29f9e370d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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