Dichloromethane → HCID 21086409, compound

HRID 1149567Notes

Reaction equation

HRID 1149567 reaction equation
[CH2:1]([CH2:2][CH3:3])[N:4]([c:5]1[n:6][cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:16])[OH:17])[cH:13][c:14]12)[CH2:18][CH2:19][CH3:20].[CH2:88]([Cl:89])[Cl:90].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[NH2:21][CH:22]([CH:23]([CH2:24][NH:25][CH2:26][c:27]1[cH:28][c:29]([CH2:33][CH3:34])[cH:30][cH:31][cH:32]1)[OH:35])[CH2:36][c:37]1[cH:38][c:39]([F:44])[cH:40][c:41]([F:43])[cH:42]1.[OH:45][n:46]1[c:47]2[c:48]([cH:49][cH:50][cH:51][cH:52]2)[n:53][n:54]1.[P-:64]([F:65])([F:66])([F:67])([F:68])([F:69])[F:70].[n:71]1([O:72][C:73]([N:74]([CH3:75])[CH3:76])=[N+:77]([CH3:78])[CH3:79])[c:80]2[n:81][cH:82][cH:83][cH:84][c:85]2[n:86][n:87]1>>[CH2:1]([CH2:2][CH3:3])[N:4]([c:5]1[n:6][cH:7][cH:8][c:9]2[cH:10][cH:11][c:12]([C:15](=[O:17])[NH:21][CH:22]([CH:23]([CH2:24][NH:25][CH2:26][c:27]3[cH:28][c:29]([CH2:33][CH3:34])[cH:30][cH:31][cH:32]3)[OH:35])[CH2:36][c:37]3[cH:38][c:39]([F:44])[cH:40][c:41]([F:43])[cH:42]3)[cH:13][c:14]12)[CH2:18][CH2:19][CH3:20]

Participants

8

Reactant 7

HCID 6344DichloromethaneHCID 9886HexafluorophosphateHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 21085198HCID 21085198, compoundHCID 218657313-Amino-4-(3,5-difluoro-phenyl)-1-(3-ethyl-benzylamino)-butan-2-ol

Product 1

HCID 21086409HCID 21086409, compound

Sources & evidence

ORD record
ord-50da9cd6027245bda3eb8ec8b9046a1f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

Loading…