Hydrochloric Acid → HCID 178427046, compound

HRID 695155Notes

Reaction equation

HRID 695155 reaction equation
[B-:19]([F:20])([F:21])([F:22])[F:23].[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([CH3:18])[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17]1.[CH2:69]([OH:70])[CH3:71].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[Cl:50][c:51]1[cH:52][c:53]2[c:54]([nH:55][c:56]([CH:58]([CH3:59])[NH2:60])[n:57]2)[cH:61][cH:62]1.[Cl:63].[Cl:72][CH2:73][Cl:74].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[c:9]1[c:10]([CH3:18])[cH:11][c:12]([C:13](=[O:15])[NH:60][CH:58]([c:56]2[nH:55][c:54]3[c:53]([cH:52][c:51]([Cl:50])[cH:62][cH:61]3)[n:57]2)[CH3:59])[cH:16][cH:17]1

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 26255TetrafluoroborateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 57346846HCID 57346846, compoundHCID 178463384HCID 178463384, compound

Product 1

HCID 178427046HCID 178427046, compound

Sources & evidence

ORD record
ord-48ae7bd03b334de196cf993974ebb5c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

Loading…