Water → HCID 69746691, compound

HRID 2329162Notes

Reaction equation

HRID 2329162 reaction equation
[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:42]2)[CH:25]=[C:26]([C:39](=[O:40])[OH:41])[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[cH:32][n:33][n:34]([CH:36]([CH3:37])[CH3:38])[cH:35]2)[cH:18][cH:19]1.[CH3:47][N:48]([CH:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1)[CH2:55][c:56]1[cH:57][cH:58][c:59]([NH2:60])[cH:61][cH:62]1.[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl:63][CH2:64][Cl:65].[O:1]=[CH:2][N:3]([CH3:4])[CH3:5].[OH2:66].[S:43]([Cl:44])([Cl:45])=[O:46]>>[CH2:6]([CH2:7][CH2:8][CH3:9])[O:10][CH:11]([CH3:12])[O:13][c:14]1[cH:15][cH:16][c:17](-[c:20]2[cH:21][cH:22][c:23]3[c:24]([cH:42]2)[CH:25]=[C:26]([C:39](=[O:40])[NH:60][c:59]2[cH:58][cH:57][c:56]([CH2:55][N:48]([CH3:47])[CH:49]4[CH2:50][CH2:51][O:52][CH2:53][CH2:54]4)[cH:62][cH:61]2)[CH2:27][CH2:28][N:29]3[CH2:30][c:31]2[cH:32][n:33][n:34]([CH:36]([CH3:37])[CH3:38])[cH:35]2)[cH:18][cH:19]1

Participants

8

Reactant 7

HCID 962WaterHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 24386Thionyl ChlorideHCID 9877845(4-Amino-benzyl)-methyl-(tetrahydro-pyran-4-yl)-amineHCID 22329095HCID 22329095, compound

Product 1

HCID 69746691HCID 69746691, compound

Sources & evidence

ORD record
ord-b3f899394e944aa3bb52030c34c5dbb5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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