Bicarbonate Ion → t-Butyl {2-[(4-{3-cyano-5-[(ethylamino)methyl]pyridin-2-yl}benzoyl)amino]phenyl}carbamate

HRID 674588Notes

Reaction equation

HRID 674588 reaction equation
[BH4-:37].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][cH:25][c:26]([CH:31]=[O:32])[cH:27][c:28]3[C:29]#[N:30])[cH:21][cH:22]2)=[O:33])[cH:11][cH:12][cH:13][cH:14]1.[C:39](=[O:40])([OH:41])[O-:42].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:34][CH2:35][NH2:36].[CH3:52][CH:53]([CH3:54])[O-:55].[CH3:57][CH:58]([CH3:59])[O-:60].[CH3:61][CH:62]([CH3:63])[O-:64].[CH3:65][CH:66]([CH3:67])[O-:68].[CH3:70][OH:71].[Cl:49][CH2:50][Cl:51].[Na+:38].[Na+:43].[OH2:69].[Ti+4:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([NH:15][C:16]([c:17]2[cH:18][cH:19][c:20](-[c:23]3[n:24][cH:25][c:26]([CH2:31][NH:36][CH2:35][CH3:34])[cH:27][c:28]3[C:29]#[N:30])[cH:21][cH:22]2)=[O:33])[cH:11][cH:12][cH:13][cH:14]1

Participants

12

Reactant 11

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ion2×HCID 962WaterHCID 6341EthylamineHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 86624985HCID 86624985, compound

Product 1

HCID 86624987t-Butyl {2-[(4-{3-cyano-5-[(ethylamino)methyl]pyridin-2-yl}benzoyl)amino]phenyl}carbamate

Sources & evidence

ORD record
ord-afde46a74eaf463bb119ec6fad582262
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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