Sodium ion → HCID 69087703, compound

HRID 1152665Notes

Reaction equation

HRID 1152665 reaction equation
[Br:1][c:2]1[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1.[C:59](=[O:60])([O-:61])[O-:62].[CH3:38][C:39]1([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44][B:45]([c:46]2[cH:47][cH:48][c:49]([NH:52][C:53](=[O:54])[CH:55]3[CH2:56][CH2:57]3)[cH:50][cH:51]2)[O:58]1.[Na+:63].[Na+:64].[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[OH2:70]>>[c:2]1(-[c:46]2[cH:47][cH:48][c:49]([NH:52][C:53](=[O:54])[CH:55]3[CH2:56][CH2:57]3)[cH:50][cH:51]2)[n:3][c:4]2[n:5]([c:19]1-[c:20]1[cH:21][cH:22][c:23]([C:26]3([NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[CH2:27][CH2:28][CH2:29]3)[cH:24][cH:25]1)-[c:6]1[c:7]([n:15][cH:16][cH:17][cH:18]1)[NH:8][c:9]1[c:10]-2[cH:11][cH:12][cH:13][cH:14]1

Participants

7

Reactant 6

HCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 67503029HCID 67503029, compoundHCID 136331865tert-butyl {1-[4-(2-bromo-9H-imidazo[1,2-d]pyrido[2,3-b][1,4]benzodiazepin-3-yl)phenyl]cyclobutyl}carbamate

Product 1

HCID 69087703HCID 69087703, compound

Sources & evidence

ORD record
ord-eaf2087ce8594314bb3cf5a58bcb292d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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