Hydrochloric Acid → HCID 178421976, compound

HRID 2143546Notes

Reaction equation

HRID 2143546 reaction equation
[CH:80]([N:81]([CH2:82][CH3:83])[CH:84]([CH3:85])[CH3:86])([CH3:87])[CH3:88].[ClH:31].[ClH:32].[NH2:33][CH2:34][c:35]1[cH:36][c:37]([C:41]2([NH:44][C:45](=[O:46])[C:47]3([NH:50][C:51](=[O:52])[c:53]4[cH:54][n:55][c:56]5[n:57]4[C:58]([CH3:70])([CH2:71][c:72]4[cH:73][cH:74][c:75]([C:78]#[N:79])[cH:76][cH:77]4)[C:59](=[O:69])[N:60]5[c:61]4[cH:62][c:63]([Cl:68])[cH:64][c:65]([Cl:67])[cH:66]4)[CH2:48][CH2:49]3)[CH2:42][CH2:43]2)[n:38][cH:39][cH:40]1.[O:89]=[CH:90][N:91]([CH3:92])[CH3:93].[OH2:94].[OH:1][C:2](=[O:3])[CH:4]1[CH2:5][CH2:6]1.[P-:7]([F:8])([F:9])([F:10])([F:11])([F:12])[F:13].[n:14]1([O:15][C:16]([N:17]([CH3:18])[CH3:19])=[N+:20]([CH3:21])[CH3:22])[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[O:1]=[C:2]([CH:4]1[CH2:5][CH2:6]1)[NH:33][CH2:34][c:35]1[cH:36][c:37]([C:41]2([NH:44][C:45](=[O:46])[C:47]3([NH:50][C:51](=[O:52])[c:53]4[cH:54][n:55][c:56]5[n:57]4[C:58]([CH3:70])([CH2:71][c:72]4[cH:73][cH:74][c:75]([C:78]#[N:79])[cH:76][cH:77]4)[C:59](=[O:69])[N:60]5[c:61]4[cH:62][c:63]([Cl:68])[cH:64][c:65]([Cl:67])[cH:66]4)[CH2:48][CH2:49]3)[CH2:42][CH2:43]2)[n:38][cH:39][cH:40]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 15655Cyclopropanecarboxylic acidHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 178421975HCID 178421975, compound

Product 1

HCID 178421976HCID 178421976, compound

Sources & evidence

ORD record
ord-560f100581cb4feda8096cb14d856e22
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…