Hydrochloric Acid → HCID 178456200, compound

HRID 696195Notes

Reaction equation

HRID 696195 reaction equation
[B-:44]([F:45])([F:46])([F:47])[F:48].[CH3:66][N:67]1[CH2:68][CH2:69][O:70][CH2:71][CH2:72]1.[Cl:73][CH2:74][Cl:75].[ClH:1].[ClH:2].[NH2:3][CH:4]([CH:5]([CH2:6][NH:7][CH2:8][c:9]1[cH:10][c:11]([CH:15]([CH3:16])[CH3:17])[cH:12][cH:13][cH:14]1)[OH:18])[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[O:26]=[C:27]1[C:28]2([CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37][N:38]1[CH:39]([C:40](=[O:41])[OH:42])[CH3:43].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[NH:3]([CH:4]([CH:5]([CH2:6][NH:7][CH2:8][c:9]1[cH:10][c:11]([CH:15]([CH3:16])[CH3:17])[cH:12][cH:13][cH:14]1)[OH:18])[CH2:19][c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[C:40]([CH:39]([N:38]1[C:27](=[O:26])[C:28]2([CH2:29][CH2:30][CH2:31][N:32]2[CH2:33][CH2:34][CH3:35])[CH2:36][CH2:37]1)[CH3:43])=[O:41]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6344DichloromethaneHCID 79724-MethylmorpholineHCID 26255TetrafluoroborateHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 68682829HCID 68682829, compoundHCID 178439088HCID 178439088, compound

Product 1

HCID 178456200HCID 178456200, compound

Sources & evidence

ORD record
ord-5bcd12788de849ccb3d04bd95a2516e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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