Bromide ion → HCID 59548318, compound

HRID 2342162Notes

Reaction equation

HRID 2342162 reaction equation
[Br-:29].[CH2:30]([CH3:31])[Mg+:32].[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:50][CH:51]([CH3:52])[O-:53].[CH3:55][CH:56]([CH3:57])[O-:58].[CH3:59][CH:60]([CH3:61])[O-:62].[CH3:63][CH:64]([CH3:65])[O-:66].[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:42][CH2:43][Cl:44].[NH2:1][c:2]1[n:3][c:4](-[c:9]2[c:10]([NH:19][c:20]3[cH:21][n:22][c:23]([O:27][CH3:28])[c:24]([F:26])[cH:25]3)[n:11][cH:12][c:13]([C:14](=[O:15])[O:16][CH3:17])[cH:18]2)[n:5][c:6]([CH3:8])[n:7]1.[Na+:37].[O-:33][C:34]([OH:35])=[O:36].[Ti+4:54]>>[NH2:1][c:2]1[n:3][c:4](-[c:9]2[c:10]([NH:19][c:20]3[cH:21][n:22][c:23]([O:27][CH3:28])[c:24]([F:26])[cH:25]3)[n:11][cH:12][c:13]([C:14]3([OH:15])[CH2:30][CH2:31]3)[cH:18]2)[n:5][c:6]([CH3:8])[n:7]1

Participants

11

Reactant 10

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 923Sodium ionHCID 3776IsopropanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 66612160HCID 66612160, compoundHCID 178461628HCID 178461628, compound

Product 1

HCID 59548318HCID 59548318, compound

Sources & evidence

ORD record
ord-2e8c0578ffd0435b994b5c9f00a3aef8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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