Chloride → Cga-380778

HRID 140054Notes

Reaction equation

HRID 140054 reaction equation
[CH3:18][CH2:19][N:20]([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:13][CH2:14][NH:15][CH:16]=[O:17])[cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]#[CH:12].[Cl-:50].[Cl-:51].[Cl-:52].[Cl-:53].[Cl:25][C:26]([O:27][C:28](=[O:29])[O:30][C:31]([Cl:32])([Cl:33])[Cl:34])([Cl:35])[Cl:36].[Cl:37][c:38]1[cH:39][cH:40][c:41]([CH:42]=[O:43])[cH:44][cH:45]1.[Cl:47][CH2:48][Cl:49].[ClH:46].[Ti+4:54]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([CH2:13][CH2:14][NH:15][C:16](=[O:17])[CH:42]([c:41]2[cH:40][cH:39][c:38]([Cl:37])[cH:45][cH:44]2)[OH:43])[cH:6][cH:7][c:8]1[O:9][CH2:10][C:11]#[CH:12]

Participants

9

Reactant 8

HCID 312Chloride4×HCID 313Hydrochloric AcidHCID 6344DichloromethaneHCID 77264-ChlorobenzaldehydeHCID 8471TriethylamineHCID 94429TriphosgeneHCID 114942Titanium cation (4+)HCID 11379286Formamide, N-[2-[3-methoxy-4-(2-propynyloxy)phenyl]ethyl]-

Product 1

HCID 11474256Cga-380778

Sources & evidence

ORD record
ord-e581c12934dc4fee84866e47fe1c9042
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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